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243984-48-7

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Basic Information
CAS No.: 243984-48-7
Name: BENZOIC ACID, 3-CHLORO-4-NITRO-, METHYL ESTER
Article Data: 3
Molecular Structure:
Molecular Structure of 243984-48-7 (BENZOIC ACID, 3-CHLORO-4-NITRO-, METHYL ESTER)
Formula: C8H6ClNO4
Molecular Weight: 215.593
Synonyms: Methyl 3-chloro-4-nitrobenzoate;3-Chloro-4-nitro-benzoic acid methyl ester;
Density: 1.426 g/cm3
Boiling Point: 343.4 °C at 760 mmHg
Flash Point: 161.5 °C
PSA: 72.12000
LogP: 2.55800
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Specification

The Benzoicacid, 3-chloro-4-nitro-, methyl ester, with the CAS registry number 243984-48-7, is also known as 3-Chloro-4-nitro-benzoic acid methyl ester. This chemical's molecular formula is C8H6ClNO4 and molecular weight is 215.59. What's more, its systematic name is Methyl 3-chloro-4-nitrobenzoate.

Physical properties of Benzoicacid, 3-chloro-4-nitro-, methyl ester are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 29.97; (6)ACD/BCF (pH 7.4): 29.97; (7)ACD/KOC (pH 5.5): 396.88; (8)ACD/KOC (pH 7.4): 396.88; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 49.46 cm3; (15)Molar Volume: 151.1 cm3; (16)Polarizability: 19.61×10-24 cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.426 g/cm3; (19)Flash Point: 161.5 °C; (20)Enthalpy of Vaporization: 58.72 kJ/mol; (21)Boiling Point: 343.4 °C at 760 mmHg; (22)Vapour Pressure: 7.08E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1ccc(cc1Cl)C(=O)OC
(2)InChI: InChI=1/C8H6ClNO4/c1-14-8(11)5-2-3-7(10(12)13)6(9)4-5/h2-4H,1H3
(3)InChIKey: UHPKNDYXGXJKMH-UHFFFAOYSA-N