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278593-17-2 | 1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-
CAS No: 278593-17-2 Catalog No: AG002UXT MDL No:MFCD02682021
Product Description
Catalog Number:
AG002UXT
Chemical Name:
1H-Indole-3-carboxylic acid, 1-(phenylsulfonyl)-
CAS Number:
278593-17-2
Molecular Formula:
C15H11NO4S
Molecular Weight:
301.3171
MDL Number:
MFCD02682021
IUPAC Name:
1-(benzenesulfonyl)indole-3-carboxylic acid
InChI:
InChI=1S/C15H11NO4S/c17-15(18)13-10-16(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10H,(H,17,18)
InChI Key:
ISTBYLZYNVIQFS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.316g/mol
Monoisotopic Mass:
301.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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