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627511-05-1

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Basic Information
CAS No.: 627511-05-1
Name: 2-(4-BROMOPHENYL)-1H-PYRROLO[2,3-C]PYRIDINE
Article Data: 2
Molecular Structure:
Molecular Structure of 627511-05-1 (2-(4-BROMOPHENYL)-1H-PYRROLO[2,3-C]PYRIDINE)
Formula: C13H9BrN2
Molecular Weight: 273.132
Synonyms: 2-(4-Bromo-phenyl)-1H-pyrrolo[2,3-c]; pyridine;
Density: 1.546 g/cm3
Boiling Point: 466.9 °C at 760 mmHg
Flash Point: 236.2 °C
PSA: 28.68000
LogP: 3.99240
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Specification

The 1H-Pyrrolo[2,3-c]pyridine,2-(4-bromophenyl)-, with the CAS registry number 627511-05-1, is also known as 2-(4-Bromo-phenyl)-1H-pyrrolo[2,3-c]; pyridine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C13H9BrN2 and molecular weight is 273.128. What's more, its systematic name is called 2-(4-Bromophenyl)-1H-pyrrolo[2,3-c]pyridine.

Physical properties about 1H-Pyrrolo[2,3-c]pyridine,2-(4-bromophenyl)- are: (1)ACD/LogP: 4.09; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.23; (4)ACD/LogD (pH 7.4): 3.76; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 28.68Å2; (9)Index of Refraction: 1.708; (10)Molar Refractivity: 68.9 cm3; (11)Molar Volume: 176.5 cm3; (12)Polarizability: 27.31×10-24 cm3; (13)Surface Tension: 58.6 dyne/cm; (14)Density: 1.546 g/cm3; (15)Flash Point: 236.2 °C; (16)Enthalpy of Vaporization: 70.09 kJ/mol; (17)Boiling Point: 466.9 °C at 760 mmHg; (18)Vapour Pressure: 1.9E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(cc1)c2cc3ccncc3n2
(2) InChI: InChI=1/C13H9BrN2/c14-11-3-1-9(2-4-11)12-7-10-5-6-15-8-13(10)16-12/h1-8,16H
(3) InChIKey: FRMPLYCBBPBNNU-UHFFFAOYAX