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Home > Indoles and Oxindole > 99532-56-6
99532-56-6 | 1-PHENYLSULFONYL-1H-INDOLE-3-CARBONITRILE
CAS No: 99532-56-6 Catalog No: AG00655T MDL No:
Product Description
Catalog Number:
AG00655T
Chemical Name:
1-PHENYLSULFONYL-1H-INDOLE-3-CARBONITRILE
CAS Number:
99532-56-6
Molecular Formula:
C15H10N2O2S
Molecular Weight:
282.3171
IUPAC Name:
1-(benzenesulfonyl)indole-3-carbonitrile
InChI:
InChI=1S/C15H10N2O2S/c16-10-12-11-17(15-9-5-4-8-14(12)15)20(18,19)13-6-2-1-3-7-13/h1-9,11H
InChI Key:
AKLMGNCJNCCMKF-UHFFFAOYSA-N
SMILES:
N#Cc1cn(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:
282.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.317g/mol
Monoisotopic Mass:
282.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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