CAS No.131084-55-4,5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	131084-55-4
Name:	5-CHLORO-1H-PYRROLO[2,3-C]PYRIDINE
Article Data:	2
Cas Database

Formula:	C₇H₅ClN₂
Molecular Weight:	152.583
Synonyms:	5-Chloro-6-azaindole;
Density:	1.425 g/cm³
Boiling Point:	335.8 °C at 760 mmHg
Flash Point:	187.2 °C
PSA:	28.68000
LogP:	2.21630

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Specification

The 1H-Pyrrolo[2,3-c]pyridine, 5-chloro-, with the CAS registry number 131084-55-4, is also known as 5-Chloro-6-azaindole. This chemical's molecular formula is C₇H₅ClN₂ and molecular weight is 152.01. What's more, both its IUPAC name and systematic name are the same which is called 5-Chloro-1H-pyrrolo[2,3-c]pyridine.

Physical properties about 1H-Pyrrolo[2,3-c]pyridine, 5-chloro- are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 3.26; (6)ACD/BCF (pH 7.4): 8.13; (7)ACD/KOC (pH 5.5): 62.1; (8)ACD/KOC (pH 7.4): 155.17; (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: 1.703; (14)Molar Refractivity: 41.51 cm³; (15)Molar Volume: 107 cm³; (16)Surface Tension: 62.2 dyne/cm; (17)Density: 1.425 g/cm³; (18)Flash Point: 187.2 °C; (19)Enthalpy of Vaporization: 55.59 kJ/mol; (20)Boiling Point: 335.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000228 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1=CNC2=CN=C(C=C21)Cl
(2) InChI: InChI=1S/C7H5ClN2/c8-7-3-5-1-2-9-6(5)4-10-7/h1-4,9H
(3) InChIKey: XAIYMAHUJMVDHR-UHFFFAOYSA-N