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
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View