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122807-03-8 | Carbamic acid, [2-[(methylsulfinyl)acetyl]phenyl]-, ethyl ester (9CI)
CAS No: 122807-03-8 Catalog No: AG000JJ3 MDL No:
Product Description
Catalog Number:
AG000JJ3
Chemical Name:
Carbamic acid, [2-[(methylsulfinyl)acetyl]phenyl]-, ethyl ester (9CI)
CAS Number:
122807-03-8
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
IUPAC Name:
ethyl N-[2-(2-methylsulfinylacetyl)phenyl]carbamate
InChI:
InChI=1S/C12H15NO4S/c1-3-17-12(15)13-10-7-5-4-6-9(10)11(14)8-18(2)16/h4-7H,3,8H2,1-2H3,(H,13,15)
InChI Key:
FFDCXVJPNSELFV-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccccc1C(=O)CS(=O)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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