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147169-13-9 | Carbamic acid, N-[1-[(4-methylphenyl)sulfonyl]ethyl]-, phenylmethyl ester
CAS No: 147169-13-9 Catalog No: AG001ENU MDL No:
Product Description
Catalog Number:
AG001ENU
Chemical Name:
Carbamic acid, N-[1-[(4-methylphenyl)sulfonyl]ethyl]-, phenylmethyl ester
CAS Number:
147169-13-9
Molecular Formula:
C17H19NO4S
Molecular Weight:
333.4021
IUPAC Name:
benzyl N-[1-(4-methylphenyl)sulfonylethyl]carbamate
InChI:
InChI=1S/C17H19NO4S/c1-13-8-10-16(11-9-13)23(20,21)14(2)18-17(19)22-12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,18,19)
InChI Key:
BWWOIRRCADHIIS-UHFFFAOYSA-N
SMILES:
O=C(NC(S(=O)(=O)c1ccc(cc1)C)C)OCc1ccccc1
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.402g/mol
Monoisotopic Mass:
333.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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