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54558-01-9

Basic Information
CAS No.: 54558-01-9
Name: 6-(3-NITROPHENYL)-3(2H)-PYRIDAZINONE
Article Data: 8
Molecular Structure:
Molecular Structure of 54558-01-9 (6-(3-NITROPHENYL)-3(2H)-PYRIDAZINONE)
Formula: C10H7N3O3
Molecular Weight: 217.184
Synonyms: 3(2H)-Pyridazinone,6-(m-nitrophenyl)- (6CI);6-(3-Nitrophenyl)-3(2H)-pyridazinone;
Density: 1.461 g/cm3
PSA: 91.57000
LogP: 1.86830
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  • 3(2H)-Pyridazinone,6-(3-nitrophenyl)-

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    54558-01-9

    3(2H)-Pyridazinone,6-(3-nitrophenyl)-

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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  • 3(2H)-Pyridazinone,6-(3-nitrophenyl)-

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    54558-01-9

    3(2H)-Pyridazinone,6-(3-nitrophenyl)-

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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  • 6-(3-nitrophenyl)pyridazin-3(2H)-one

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    54558-01-9

    6-(3-nitrophenyl)pyridazin-3(2H)-one

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

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Specification

The 3(2H)-Pyridazinone,6-(3-nitrophenyl)- with CAS registry number of 54558-01-9 is also known as 6-(3-Nitrophenyl)-3(2H)-pyridazinone. The systematic name is 6-(3-Nitrophenyl)pyridazin-3(2H)-one. In addition, the formula is C10H7N3O3 and the molecular weight is 217.18.

Physical properties about this chemical are: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 58; (8)ACD/KOC (pH 7.4): 58; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 87.28Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 56.151 cm3; (15)Molar Volume: 148.656 cm3; (16)Polarizability: 22.26×10-24cm3; (17)Surface Tension: 64.635 dyne/cm; (18)Density: 1.461 g/cm3.

You can still convert the following datas into molecular structure:
1. SMILES: O=C1\C=C/C(=N\N1)c2cc(ccc2)[N+]([O-])=O
2. InChI: InChI=1/C10H7N3O3/c14-10-5-4-9(11-12-10)7-2-1-3-8(6-7)13(15)16/h1-6H,(H,12,14)
3. InChIKey: AFTJTAIZFQQYIN-UHFFFAOYAK
4. Std. InChI: InChI=1S/C10H7N3O3/c14-10-5-4-9(11-12-10)7-2-1-3-8(6-7)13(15)16/h1-6H,(H,12,14)
5. Std. InChIKey: AFTJTAIZFQQYIN-UHFFFAOYSA-N