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10252-66-1 | Benzoic acid, 4-[[(1-methylethyl)amino]sulfonyl]-
CAS No: 10252-66-1 Catalog No: AG0007NN MDL No:MFCD06355943
Product Description
Catalog Number:
AG0007NN
Chemical Name:
Benzoic acid, 4-[[(1-methylethyl)amino]sulfonyl]-
CAS Number:
10252-66-1
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD06355943
IUPAC Name:
4-(propan-2-ylsulfamoyl)benzoic acid
InChI:
InChI=1S/C10H13NO4S/c1-7(2)11-16(14,15)9-5-3-8(4-6-9)10(12)13/h3-7,11H,1-2H3,(H,12,13)
InChI Key:
PBAHLISBEZVUFP-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)c1ccc(cc1)C(=O)O)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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