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1-Benzenesulfonyl-2-iodo-7-azaindole

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Name

1-Benzenesulfonyl-2-iodo-7-azaindole

EINECS N/A
CAS No. 282734-63-8 Density 1.831 g/cm3
PSA 60.34000 LogP 3.95870
Solubility N/A Melting Point N/A
Formula C13H9IN2O2S Boiling Point 529.861 °C at 760 mmHg
Molecular Weight 384.197 Flash Point 274.25 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 282734-63-8 (2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine) Hazard Symbols N/A
Synonyms

2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine;1H-Pyrrolo[2,3-b]pyridine, 2-iodo-1-(phenylsulfonyl)-;2-Iodo-1-(phenylsulfonyl)-7-azaindole;1-Benzenesulfonyl-2-iodo-7-azaindole;1-Benzenesulfonyl-2-iodo-1H-pyrrolo[2,3-b]pyridine;2-Iodo-1-(phenylsulfonyl)...

Article Data 5

1-Benzenesulfonyl-2-iodo-7-azaindole Specification

The 1-Benzenesulfonyl-2-iodo-7-azaindole with the cas number 282734-63-8 is also called 1H-Pyrrolo[2,3-b]pyridine,2-iodo-1-(phenylsulfonyl)-. The IUPAC name is 1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridine. Its molecular formula is C13H9IN2O2S. This chemical should be stored in dry and cool environment.

The properties of the chemical are:  (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 216; (6)ACD/BCF (pH 7.4): 216; (7)ACD/KOC (pH 5.5): 1630; (8)ACD/KOC (pH 7.4): 1630; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 60.34 Å2; (13)Index of Refraction: 1.736; (14)Molar Refractivity: 84.225 cm3; (15)Molar Volume: 209.802 cm3; (16)Polarizability: 33.39×10-24cm3; (17)Surface Tension: 62.389 dyne/cm ; (18)Enthalpy of Vaporization: 80.501 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)S(=O)(=O)n2c(cc3c2nccc3)I
(2)InChI: InChI=1/C13H9IN2O2S/c14-12-9-10-5-4-8-15-13(10)16(12)19(17,18)11-6-2-1-3-7-11/h1-9H
(3)InChIKey: RWGDHZXCZZVWDC-UHFFFAOYAW

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