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114370-91-1 | Carbamic acid, (2-chloro-2-oxoethyl)methyl-, phenylmethyl ester (9CI)
CAS No: 114370-91-1 Catalog No: AG000B7D MDL No:
Product Description
Catalog Number:
AG000B7D
Chemical Name:
Carbamic acid, (2-chloro-2-oxoethyl)methyl-, phenylmethyl ester (9CI)
CAS Number:
114370-91-1
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
IUPAC Name:
benzyl N-(2-chloro-2-oxoethyl)-N-methylcarbamate
InChI:
InChI=1S/C11H12ClNO3/c1-13(7-10(12)14)11(15)16-8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key:
XWJAATAVMWFDGN-UHFFFAOYSA-N
SMILES:
CN(C(=O)OCc1ccccc1)CC(=O)Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.671g/mol
Monoisotopic Mass:
241.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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