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Basic Information
CAS No.: 201857-39-8
Name: 4-AMINO-3-BROMO-5-CHLOROBENZONITRILE
Article Data: 1
Molecular Structure:
Molecular Structure of 201857-39-8 (4-AMINO-3-BROMO-5-CHLOROBENZONITRILE)
Formula: C7H4BrClN2
Molecular Weight: 231.48
Synonyms: 4-Amino-3-bromo-5-chlorobenzonitrile;
Density: 1.81 g/cm3
Melting Point: 109-111 °C
Boiling Point: 292.3 °C at 760 mmHg
Flash Point: 130.6 °C
PSA: 49.81000
LogP: 3.13758
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Specification

The Benzonitrile,4-amino-3-bromo-5-chloro-, with the CAS registry number 201857-39-8, is also known as 4-Amino-3-bromo-5-chlorobenzonitrile. This chemical's molecular formula is C7H4BrClN2 and molecular weight is 231.48. What's more, its systematic name is called 4-Amino-3-bromo-5-chloro-benzonitrile.

Physical properties about Benzonitrile,4-amino-3-bromo-5-chloro- are: (1) ACD/LogP: 3.07; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.07; (4) ACD/LogD (pH 7.4): 3.07; (5) #H bond acceptors: 2; (6) #H bond donors: 2; (7) #Freely Rotating Bonds: 1; (8) Polar Surface Area: 49.81 Å2; (9) Index of Refraction: 1.665; (10) Molar Refractivity: 47.48 cm3; (11) Molar Volume: 127.8 cm3; (12) Surface Tension: 69.6 dyne/cm; (13) Density: 1.81 g/cm3; (14) Flash Point: 130.6 °C; (15) Enthalpy of Vaporization: 53.18 kJ/mol; (16) Boiling Point: 292.3 °C at 760 mmHg; (17) Vapour Pressure: 0.00185 mmHg at 25 °C; (18) Melting Point: 109-111 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(cc(Br)c1N)C#N
(2) InChI: InChI=1/C7H4BrClN2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
(3) InChIKey: RVAYUALQDNDXJD-UHFFFAOYAA