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117155-95-0 | Carbamic acid, [(1S)-2-chloro-2-oxo-1-(phenylmethyl)ethyl]-, ethyl ester (9CI)
CAS No: 117155-95-0 Catalog No: AG000DTJ MDL No:
Product Description
Catalog Number:
AG000DTJ
Chemical Name:
Carbamic acid, [(1S)-2-chloro-2-oxo-1-(phenylmethyl)ethyl]-, ethyl ester (9CI)
CAS Number:
117155-95-0
Molecular Formula:
C12H14ClNO3
Molecular Weight:
255.6975
IUPAC Name:
ethyl N-(1-chloro-1-oxo-3-phenylpropan-2-yl)carbamate
InChI:
InChI=1S/C12H14ClNO3/c1-2-17-12(16)14-10(11(13)15)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,16)
InChI Key:
NAQVWCZKERTFHG-UHFFFAOYSA-N
SMILES:
CCOC(=O)N[C@H](C(=O)Cl)Cc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.698g/mol
Monoisotopic Mass:
255.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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