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18303-02-1 | Carbamic acid, [(4-methylphenyl)sulfonyl]-, 1-methylethyl ester (9CI)
CAS No: 18303-02-1 Catalog No: AG0024CX MDL No:
Product Description
Catalog Number:
AG0024CX
Chemical Name:
Carbamic acid, [(4-methylphenyl)sulfonyl]-, 1-methylethyl ester (9CI)
CAS Number:
18303-02-1
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
IUPAC Name:
propan-2-yl N-(4-methylphenyl)sulfonylcarbamate
InChI:
InChI=1S/C11H15NO4S/c1-8(2)16-11(13)12-17(14,15)10-6-4-9(3)5-7-10/h4-8H,1-3H3,(H,12,13)
InChI Key:
FOKWWPWMZYWNKM-UHFFFAOYSA-N
SMILES:
CC(OC(=O)NS(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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