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7326-77-4 | 3-(N-Benzylsulfamoyl);benzoic acid
CAS No: 7326-77-4 Catalog No: AG0061SQ MDL No:MFCD00622724
Product Description
Catalog Number:
AG0061SQ
Chemical Name:
3-(N-Benzylsulfamoyl);benzoic acid
CAS Number:
7326-77-4
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
MDL Number:
MFCD00622724
IUPAC Name:
3-(benzylsulfamoyl)benzoic acid
InChI:
InChI=1S/C14H13NO4S/c16-14(17)12-7-4-8-13(9-12)20(18,19)15-10-11-5-2-1-3-6-11/h1-9,15H,10H2,(H,16,17)
InChI Key:
IPSYRXPRMAIAKO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=O)(=O)NCc1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.321g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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