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Home > Indoles and Oxindole > 99532-51-1
99532-51-1 | 1-(Phenylsulphonyl)-1H-indole-3-carbonyl chloride
CAS No: 99532-51-1 Catalog No: AG00655U MDL No:
Product Description
Catalog Number:
AG00655U
Chemical Name:
1-(Phenylsulphonyl)-1H-indole-3-carbonyl chloride
CAS Number:
99532-51-1
Molecular Formula:
C15H10ClNO3S
Molecular Weight:
319.7628
IUPAC Name:
1-(benzenesulfonyl)indole-3-carbonyl chloride
InChI:
InChI=1S/C15H10ClNO3S/c16-15(18)13-10-17(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10H
InChI Key:
RDVIVYUKRJAERC-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.007g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.759g/mol
Monoisotopic Mass:
319.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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