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CAS No.: | 148993-18-4 |
---|---|
Name: | 3-BROMO-4-CHLOROBENZHYDRAZIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H6BrClN2O |
Molecular Weight: | 249.494 |
Synonyms: | 2-Bromo-1-chlorobenzene-4-carbohydrazide;3-Bromo-4-chlorobenzohydrazide; |
Density: | 1.719 g/cm3 |
Melting Point: | 165 °C |
PSA: | 55.12000 |
LogP: | 2.79720 |
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The Benzoic acid,3-bromo-4-chloro-, hydrazide, with the CAS registry number 148993-18-4, is also known as 2-Bromo-1-chlorobenzene-4-carbohydrazide. This chemical's molecular formula is C7H6BrClN2O and molecular weight is 249.49. What's more, its systematic name is 3-Bromo-4-chlorobenzohydrazide.
Physical properties of Benzoic acid,3-bromo-4-chloro-, hydrazide are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 20.99; (6)ACD/BCF (pH 7.4): 21.03; (7)ACD/KOC (pH 5.5): 307.4; (8)ACD/KOC (pH 7.4): 308; (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=C1C(=O)NN)Br)Cl
(2)InChI: InChI=1S/C7H6BrClN2O/c8-5-3-4(7(12)11-10)1-2-6(5)9/h1-3H,10H2,(H,11,12)
(3)InChIKey: MPLUVSFWRCWHFP-UHFFFAOYSA-N