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1H-Benzimidazole,6-bromo-2-phenyl- (1741-50-0)

Identification
Name:1H-Benzimidazole,6-bromo-2-phenyl-
Synonyms:1H-Benzimidazole,5-bromo-2-phenyl- (9CI);Benzimidazole, 5(or 6)-bromo-2-phenyl- (7CI);Benzimidazole, 5-bromo-2-phenyl- (8CI);2-Phenyl-5-bromo-1H-benzimidazole;5-Bromo-2-phenylbenzimidazole;6-Bromo-2-phenylbenzimidazole;
CAS:1741-50-0
Molecular Formula: C13H9BrN2
Molecular Weight: 273.13
InChI: InChI=1/C13H9BrN2/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)
Molecular Structure: (C13H9BrN2) 1H-Benzimidazole,5-bromo-2-phenyl- (9CI);Benzimidazole, 5(or 6)-bromo-2-phenyl- (7CI);Benzimidazole,...
Properties
Density:1.546 g/cm3
Refractive index:1.708
Specification:

The 5-Bromo-2-phenylbenzimidazole, with CAS registry number 1741-50-0, has the systematic name of 5-bromo-2-phenyl-1H-benzimidazole. Besides this, it is also called 1H-benzimidazole, 5-bromo-2-phenyl-. And the  chemical formula of this chemical is C13H9BrN2.

Physical properties about this chemical are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.99; (4)ACD/LogD (pH 7.4): 4.02; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 28.68 Å2; (9)Index of Refraction: 1.708; (10)Molar Refractivity: 68.9 cm3; (11)Molar Volume: 176.5 cm3; (12)Polarizability: 27.31×10-24cm3; (13)Surface Tension: 58.6 dyne/cm; (14)Enthalpy of Vaporization: 70.43 kJ/mol; (15)Vapour Pressure: 3.72E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)c2[nH]c3ccc(cc3n2)Br
(2)InChI: InChI=1/C13H9BrN2/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)
(3)InChIKey: GVFCYTFUNNARML-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C13H9BrN2/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,15,16)
(5)Std. InChIKey: GVFCYTFUNNARML-UHFFFAOYSA-N

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