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131634-71-4

Basic Information
CAS No.: 131634-71-4
Name: 5-BROMO-2-CHLOROBENZHYDRAZIDE
Molecular Structure:
Molecular Structure of 131634-71-4 (5-BROMO-2-CHLOROBENZHYDRAZIDE)
Formula: C7H6BrClN2O
Molecular Weight: 249.494
Synonyms: 5-Bromo-2-chlorobenzoic acid hydrazide;5-Bromo-2-chlorobenzoic hydrazide;5-Bromo-2-chlorobenzohydrazide;
Density: 1.719 g/cm3
Hazard Symbols: IrritantXi
Risk Codes: R36/37/38
PSA: 55.12000
LogP: 2.79720
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Specification

The Benzoic acid,5-bromo-2-chloro-, hydrazide, with the CAS registry number 131634-71-4, is also known as 5-Bromo-2-chlorobenzoic hydrazide. This chemical's molecular formula is C7H6BrClN2O and molecular weight is 249.49. What's more, its systematic name is 5-Bromo-2-chlorobenzohydrazide and it belongs to the product categories of Bromine Compounds; Chlorine Compounds. 

Physical properties of Benzoic acid,5-bromo-2-chloro-, hydrazide are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.99; (6)ACD/BCF (pH 7.4): 3.99; (7)ACD/KOC (pH 5.5): 93.6; (8)ACD/KOC (pH 7.4): 93.71; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 51.36 cm3; (15)Molar Volume: 145 cm3; (16)Polarizability: 20.36×10-24 cm3; (17)Surface Tension: 55.5 dyne/cm Density: 1.719 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Br)C(=O)NN)Cl
(2)InChI: InChI=1S/C7H6BrClN2O/c8-4-1-2-6(9)5(3-4)7(12)11-10/h1-3H,10H2,(H,11,12)
(3)InChIKey: WWFCYCURWFOZSY-UHFFFAOYSA-N