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Basic Information
CAS No.: 34662-35-6
Name: 2-Bromo-4-nitrobenzonitrile
Article Data: 5
Molecular Structure:
Molecular Structure of 34662-35-6 (2-Bromo-4-nitrobenzonitrile)
Formula: C7H3BrN2O2
Molecular Weight: 227.017
Synonyms: 2-Brom-4-nitrobenzonitril;
EINECS: 604-604-1
Density: 1.812 g/cm3
Boiling Point: 363.301 °C at 760 mmHg
Flash Point: 173.519 °C
PSA: 69.61000
LogP: 2.75218
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Specification

The 2-Bromo-4-nitrobenzonitrile, with the CAS registry number 34662-35-6, has molecular formula C7H3BrN2O2. In addition, this chemical's molecular weight is 227.0149. Its systematic name is called 2-bromo-4-nitrobenzonitrile.

Physical properties of 2-Bromo-4-nitrobenzonitrile: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 9; (5)ACD/BCF (pH 7.4): 9; (6)ACD/KOC (pH 5.5): 169; (7)ACD/KOC (pH 7.4): 169; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.639; (11)Molar Refractivity: 45.075 cm3; (12)Molar Volume: 125.304 cm3; (13)Surface Tension: 69.003 dyne/cm; (14)Density: 1.812 g/cm3; (15)Flash Point: 173.519 °C; (16)Enthalpy of Vaporization: 60.935 kJ/mol; (17)Boiling Point: 363.301 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1Br)N(=O)=O
(2)InChI: InChI=1/C7H3BrN2O2/c8-7-3-6(10(11)12)2-1-5(7)4-9/h1-3H
(3)InChIKey: JHFVJZYSOSQUDW-UHFFFAOYAM