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Cas Database |
| Name |
1H-Pyrrolo[2,3-b]pyridine,4-bromo-1-(phenylsulfonyl)- |
EINECS | 200-589-5 |
| CAS No. | 889939-25-7 | Density | 1.64 g/cm3 |
| PSA | 60.34000 | LogP | 4.11660 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H9BrN2O2S | Boiling Point | 511.4 °C at 760 mmHg |
| Molecular Weight | 337.197 | Flash Point | 263.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-BROMO-1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE;4-BROMO-1-BENZENESULFONYL-7-AZAINDOLE;1H-Pyrrolo[2,3-b]pyridine, 4-bromo-1-(phenylsulfonyl)-;1-Benzenesulfonyl-4-bromo-7-azaindole;4-Bromo-1-benzenesulfonyl...;1-(benzenesulfonyl)-4-broMo-1H-pyrrolo[2,3-b]pyridine;1-(Phenylsulphonyl)-4-broMo-7-azaindole |
Article Data | 3 |
1H-Pyrrolo[2,3-b]pyridine,4-bromo-1-(phenylsulfonyl)- Specification
The 1H-Pyrrolo[2,3-b]pyridine,4-bromo-1-(phenylsulfonyl)-, with CAS registry number 889939-25-7, has the systematic name of 1-(benzenesulfonyl)-4-bromo-pyrrolo[2,3-b]pyridine. And its IUPAC name is the same one. The chemical formula of this chemical is C13H9BrN2O2S.
Physical properties of 1H-Pyrrolo[2,3-b]pyridine,4-bromo-1-(phenylsulfonyl)-: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 60.34 Å2; (9)Index of Refraction: 1.699; (10)Molar Refractivity: 79.12 cm3; (11)Molar Volume: 204.7 cm3; (12)Polarizability: 31.36×10-24cm3; (13)Surface Tension: 60.2 dyne/cm; (14)Enthalpy of Vaporization: 78.24 kJ/mol; (15)Vapour Pressure: 1.42E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)S(=O)(=O)n2ccc3c2nccc3Br
(2)InChI: InChI=1/C13H9BrN2O2S/c14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10/h1-9H
(3)InChIKey: HSCQVANUQCLSJL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C13H9BrN2O2S/c14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10/h1-9H
(5)Std. InChIKey: HSCQVANUQCLSJL-UHFFFAOYSA-N
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