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1373232-46-2 | Carbamic acid, N-[3-(butylsulfonyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 1373232-46-2 Catalog No: AG00134Q MDL No:MFCD22192556
Product Description
Catalog Number:
AG00134Q
Chemical Name:
Carbamic acid, N-[3-(butylsulfonyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
1373232-46-2
Molecular Formula:
C15H23NO4S
Molecular Weight:
313.4124
MDL Number:
MFCD22192556
IUPAC Name:
tert-butyl N-(3-butylsulfonylphenyl)carbamate
InChI:
InChI=1S/C15H23NO4S/c1-5-6-10-21(18,19)13-9-7-8-12(11-13)16-14(17)20-15(2,3)4/h7-9,11H,5-6,10H2,1-4H3,(H,16,17)
InChI Key:
AHKLAJXPQJZMLD-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)c1cccc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.135g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.412g/mol
Monoisotopic Mass:
313.135g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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