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1373233-18-1 | Carbamic acid, N-[3-(ethylsulfonyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 1373233-18-1 Catalog No: AG00135G MDL No:MFCD22192554
Product Description
Catalog Number:
AG00135G
Chemical Name:
Carbamic acid, N-[3-(ethylsulfonyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
1373233-18-1
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.3593
MDL Number:
MFCD22192554
IUPAC Name:
tert-butyl N-(3-ethylsulfonylphenyl)carbamate
InChI:
InChI=1S/C13H19NO4S/c1-5-19(16,17)11-8-6-7-10(9-11)14-12(15)18-13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15)
InChI Key:
WWXCMTVTEXQBDY-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1cccc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.358g/mol
Monoisotopic Mass:
285.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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