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947238-42-8

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Basic Information
CAS No.: 947238-42-8
Name: 3-bromo-4-chloro-1H-pyrrolo[3,2-c]pyridine
Article Data: 2
Molecular Structure:
Molecular Structure of 947238-42-8 (3-bromo-4-chloro-1H-pyrrolo[3,2-c]pyridine)
Formula: C7H4BrClN2
Molecular Weight: 231.479
Synonyms: 3-bromo-4-chloro-1H-pyrrolo[3,2-c]pyridine;3-broMo-4-chloro-1H-pyrrolo[3;3-BroMo-4-chloro-5-azaindole
Density: 1.878 g/cm3
Boiling Point: 393.194 °C at 760 mmHg
Flash Point: 191.597 °C
PSA: 28.68000
LogP: 2.97880
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Specification

The 1H-Pyrrolo[3,2-c]pyridine,3-bromo-4-chloro- has the CAS registry number 947238-42-8. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C7H4BrClN2 and molecular weight is 231.48. What's more, its systematic name is 3-Bromo-4-chloro-1H-pyrrolo[3,2-c]pyridine.

Physical properties of 1H-Pyrrolo[3,2-c]pyridine,3-bromo-4-chloro- are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 18.94; (6)ACD/BCF (pH 7.4): 22.89; (7)ACD/KOC (pH 5.5): 270.57; (8)ACD/KOC (pH 7.4): 326.97; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 49.2 cm3; (15)Molar Volume: 123.2 cm3; (16)Polarizability: 19.5×10-24 cm3; (17)Surface Tension: 65.9 dyne/cm; (18)Density: 1.878 g/cm3; (19)Flash Point: 191.6 °C; (20)Enthalpy of Vaporization: 61.79 kJ/mol; (21)Boiling Point: 393.2 °C at 760 mmHg; (22)Vapour Pressure: 4.91E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(c2c1[nH]cc2Br)Cl
(2)InChI: InChI=1S/C7H4BrClN2/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3,11H
(3)InChIKey: FZERBVKCXSYQLC-UHFFFAOYSA-N