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14065-41-9 | Benzoic acid, 2-(aminosulfonyl)-, 1-methylethyl ester
CAS No: 14065-41-9 Catalog No: AG001CND MDL No:
Product Description
Catalog Number:
AG001CND
Chemical Name:
Benzoic acid, 2-(aminosulfonyl)-, 1-methylethyl ester
CAS Number:
14065-41-9
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
IUPAC Name:
propan-2-yl 2-sulfamoylbenzoate
InChI:
InChI=1S/C10H13NO4S/c1-7(2)15-10(12)8-5-3-4-6-9(8)16(11,13)14/h3-7H,1-2H3,(H2,11,13,14)
InChI Key:
UADGDKCDJALXDM-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccccc1S(=O)(=O)N)C
UNII:
7A6Y732210
NSC Number:
53646
Properties
Complexity:
344
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:
1
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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