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Basic Information
CAS No.: 71856-54-7
Name: 5-amino-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile
Article Data: 1
Molecular Structure:
Molecular Structure of 71856-54-7 (5-amino-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile)
Formula: C10H7BrN4
Molecular Weight: 263.10
Synonyms: 1H-pyrazole-4-carbonitrile, 5-amino-1-(2-bromophenyl)-;5-amino-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile;LogP
Density: 1.663 g/cm3
Melting Point: 131°C
Boiling Point: 453.217 °C at 760 mmHg
Flash Point: 227.898 °C
PSA: 67.63000
LogP: 2.66988
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Specification

This chemical is called 5-Amino-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile, and its systematic name is 1H-pyrazole-4-carbonitrile, 5-amino-1-(2-bromophenyl)-. With the molecular formula of C10H7BrN4, its molecular weight is 263.10. The CAS registry number of this chemical is 71856-54-7. 

Other characteristics of the 5-Amino-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile can be summarised as followings: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.518; (4)ACD/LogD (pH 7.4): 1.518; (5)ACD/BCF (pH 5.5): 8.39; (6)ACD/BCF (pH 7.4): 8.39; (7)ACD/KOC (pH 5.5): 159.532; (8)ACD/KOC (pH 7.4): 159.532; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.63 Å2; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 61.927 cm3; (15)Molar Volume: 158.192 cm3; (16)Polarizability: 24.55×10-24cm3; (17)Surface Tension: 61.281 dyne/cm; (18)Density: 1.663 g/cm3; (19)Flash Point: 227.898 °C; (20)Enthalpy of Vaporization: 71.258 kJ/mol; (21)Boiling Point: 453.217 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1ccc(c(c1)n2c(c(cn2)C#N)N)Br
2.InChI: InChI=1/C10H7BrN4/c11-8-3-1-2-4-9(8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
3.InChIKey: ZSXCRGHOGAZHHS-UHFFFAOYAU