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100567-13-3 | 2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-5-phenyl-, methyl ester
CAS No: 100567-13-3 Catalog No: AG0002CF MDL No:
Product Description
Catalog Number:
AG0002CF
Chemical Name:
2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-5-phenyl-, methyl ester
CAS Number:
100567-13-3
Molecular Formula:
C12H11NO4S2
Molecular Weight:
297.3500
IUPAC Name:
methyl 5-phenyl-3-sulfamoylthiophene-2-carboxylate
InChI:
InChI=1S/C12H11NO4S2/c1-17-12(14)11-10(19(13,15)16)7-9(18-11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,13,15,16)
InChI Key:
SQMXUDHEWLJMTA-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1S(=O)(=O)N)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.013g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.343g/mol
Monoisotopic Mass:
297.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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