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CAS No.: | 69872-17-9 |
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Name: | 4-Bromo-1H-Pyrrolo[2,3-c]Pyridine |
Article Data: | 9 |
Molecular Structure: | |
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 |
Appearance: | light yellow solid |
PSA: | 28.68000 |
LogP: | 2.32540 |
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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