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119421-06-6 | Acetic acid, 2-[[(4-chlorophenyl)amino]sulfinyl]-, 1,1-dimethylethyl ester
CAS No: 119421-06-6 Catalog No: AG000IQV MDL No:
Product Description
Catalog Number:
AG000IQV
Chemical Name:
Acetic acid, 2-[[(4-chlorophenyl)amino]sulfinyl]-, 1,1-dimethylethyl ester
CAS Number:
119421-06-6
Molecular Formula:
C12H16ClNO3S
Molecular Weight:
289.7783
IUPAC Name:
tert-butyl 2-(4-chlorophenyl)sulfinamoylacetate
InChI:
InChI=1S/C12H16ClNO3S/c1-12(2,3)17-11(15)8-18(16)14-10-6-4-9(13)5-7-10/h4-7,14H,8H2,1-3H3
InChI Key:
QRKDVFZBXKACSS-UHFFFAOYSA-N
SMILES:
O=C(CS(=O)Nc1ccc(cc1)Cl)OC(C)(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.774g/mol
Monoisotopic Mass:
289.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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