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6-Bromo-1H-indazol-3-amine

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Name

6-Bromo-1H-indazol-3-amine

EINECS N/A
CAS No. 404827-77-6 Density 1.867 g/cm3
PSA 54.70000 LogP 2.48880
Solubility N/A Melting Point 237-240 °C
Formula C7H6BrN3 Boiling Point 431.342 °C at 760 mmHg
Molecular Weight 212.049 Flash Point 214.668 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 404827-77-6 (6-BROMO-1H-INDAZOL-3-YLAMINE) Hazard Symbols IrritantXi
Synonyms

3-Amino-6-bromo-1H-indazole;6-Bromo-1H-indazol-3-ylamine;

Article Data 20

6-Bromo-1H-indazol-3-amine Specification

The 6-Bromo-1H-indazol-3-amine is an organic compound with the formula C7H6BrN3. The IUPAC name of this chemical is 6-bromo-1H-indazol-3-amine. With the CAS registry number 404827-77-6, it is also named as 1H-Indazol-3-amine, 6-bromo-. The product's categories are Amines; Chiral Chemicals; Fused Ring Systems; Building Blocks; Indazole.

Physical properties about 6-Bromo-1H-indazol-3-amine are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.286; (3)ACD/LogD (pH 7.4): 2.287; (4)ACD/BCF (pH 5.5): 32.147; (5)ACD/BCF (pH 7.4): 32.225; (6)ACD/KOC (pH 5.5): 416.988; (7)ACD/KOC (pH 7.4): 417.998; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)Polar Surface Area: 54.7 Å2; (11)Index of Refraction: 1.8; (12)Molar Refractivity: 48.546 cm3; (13)Molar Volume: 113.56 cm3; (14)Polarizability: 19.245×10-24cm3; (15)Surface Tension: 81.483 dyne/cm; (16)Density: 1.867 g/cm3; (17)Flash Point: 214.668 °C; (18)Enthalpy of Vaporization: 68.695 kJ/mol; (19)Boiling Point: 431.342 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Br)[nH]nc2N
(2)InChI: InChI=1/C7H6BrN3/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H3,9,10,11)
(3)InChIKey: WLDHNAMVDBASAW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H6BrN3/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H3,9,10,11)
(5)Std. InChIKey: WLDHNAMVDBASAW-UHFFFAOYSA-N

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