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1373233-47-6 | Carbamic acid, N-[3-(propylsulfonyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 1373233-47-6 Catalog No: AG001359 MDL No:MFCD22192555
Product Description
Catalog Number:
AG001359
Chemical Name:
Carbamic acid, N-[3-(propylsulfonyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
1373233-47-6
Molecular Formula:
C14H21NO4S
Molecular Weight:
299.3858
MDL Number:
MFCD22192555
IUPAC Name:
tert-butyl N-(3-propylsulfonylphenyl)carbamate
InChI:
InChI=1S/C14H21NO4S/c1-5-9-20(17,18)12-8-6-7-11(10-12)15-13(16)19-14(2,3)4/h6-8,10H,5,9H2,1-4H3,(H,15,16)
InChI Key:
YABQZKGJXREIFR-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)c1cccc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.385g/mol
Monoisotopic Mass:
299.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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