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147000-78-0 | Carbamic acid, N-[[(phenylmethyl)amino]sulfonyl]-, 1,1-dimethylethyl ester
CAS No: 147000-78-0 Catalog No: AG001EJ0 MDL No:MFCD09864818
Product Description
Catalog Number:
AG001EJ0
Chemical Name:
Carbamic acid, N-[[(phenylmethyl)amino]sulfonyl]-, 1,1-dimethylethyl ester
CAS Number:
147000-78-0
Molecular Formula:
C12H18N2O4S
Molecular Weight:
286.3473
MDL Number:
MFCD09864818
IUPAC Name:
tert-butyl N-(benzylsulfamoyl)carbamate
InChI:
InChI=1S/C12H18N2O4S/c1-12(2,3)18-11(15)14-19(16,17)13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)
InChI Key:
LQYHTXUYYNNFPZ-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)NCc1ccccc1)OC(C)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.346g/mol
Monoisotopic Mass:
286.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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