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206559-39-9

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Basic Information
CAS No.: 206559-39-9
Name: 4-BROMO-2-CHLOROBENZHYDRAZIDE
Molecular Structure:
Molecular Structure of 206559-39-9 (4-BROMO-2-CHLOROBENZHYDRAZIDE)
Formula: C7H6BrClN2O
Molecular Weight: 249.494
Synonyms: 4-Bromo-2-chlorobenzoichydrazide;
Density: 1.719 g/cm3
Melting Point: 173 ºC
PSA: 55.12000
LogP: 2.79720
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Specification

The Benzoicacid, 4-bromo-2-chloro-, hydrazide has the CAS registry number 206559-39-9. This chemical's molecular formula is C7H6BrClN2O and molecular weight is 249.49. What's more, its systematic name is 4-Bromo-2-chlorobenzohydrazide.

Physical properties of Benzoicacid, 4-bromo-2-chloro-, hydrazide are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.21; (6)ACD/BCF (pH 7.4): 4.22; (7)ACD/KOC (pH 5.5): 97.34; (8)ACD/KOC (pH 7.4): 97.5; (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; (18)Density: 1.719 g/cm3.

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