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69872-17-9

Basic Information
CAS No.: 69872-17-9
Name: 4-Bromo-1H-Pyrrolo[2,3-c]Pyridine
Article Data: 9
Cas Database
Molecular Structure:
Molecular Structure of 69872-17-9 (4-Bromo-1H-Pyrrolo[2,3-c]Pyridine)
Formula: C7H5BrN2
Molecular Weight: 197.034
Synonyms: 4-Bromopyrrolo[2,3-c]pyridine;
EINECS: 200-258-5
Density: 1.771 g/cm3
Melting Point: 188-189℃
Boiling Point: 337.619 °C at 760 mmHg
Flash Point: 157.986 °C
Solubility: N/A
Appearance: light yellow solid
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 28.68000
LogP: 2.32540
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Specification

IUPAC name of this chemical is 4-Bromo-1H-Pyrrolo[2,3-c]Pyridine and its CAS registry number is 69872-17-9. This chemical is also known as 4-Bromopyrrolo[2,3-c]pyridine. Its molecular formula is C7H5BrN2 and molecular weight is 197.035.

Physical properties about the 4-Bromo-1H-Pyrrolo[2,3-c]Pyridine are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 28.68 Å2; (7)Index of Refraction: 1.728; (8)Molar Refractivity: 44.31 cm3; (9)Molar Volume: 111.28 cm3; (10)Surface Tension: 64.495 dyne/cm; (11)Density: 1.771 g/cm3; (12)Flash Point: 157.986 °C; (13)Enthalpy of Vaporization: 55.788 kJ/mol; (14)Boiling Point: 337.619 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2cncc1nccc12
(2) InChI: InChI=1/C7H5BrN2/c8-6-3-9-4-7-5(6)1-2-10-7/h1-4,10H
(3) InChIKey: NZUWATDXQMWXMY-UHFFFAOYAT