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150975-95-4 | 1H-Indole-2-carboxylic acid, 5-[(methylsulfonyl)amino]-
CAS No: 150975-95-4 Catalog No: AG001MZ7 MDL No:
Product Description
Catalog Number:
AG001MZ7
Chemical Name:
1H-Indole-2-carboxylic acid, 5-[(methylsulfonyl)amino]-
CAS Number:
150975-95-4
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
IUPAC Name:
5-(methanesulfonamido)-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H10N2O4S/c1-17(15,16)12-7-2-3-8-6(4-7)5-9(11-8)10(13)14/h2-5,11-12H,1H3,(H,13,14)
InChI Key:
AHXMYKDPQPQFMW-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c2c(c1)cc(cc2)NS(=O)(=O)C
UNII:
T8EC5NG7Z5
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.26g/mol
Monoisotopic Mass:
254.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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