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15050-24-5 | Carbamic acid, N-(2-chloro-2-oxoethyl)-, phenylmethyl ester
CAS No: 15050-24-5 Catalog No: AG001MOF MDL No:
Product Description
Catalog Number:
AG001MOF
Chemical Name:
Carbamic acid, N-(2-chloro-2-oxoethyl)-, phenylmethyl ester
CAS Number:
15050-24-5
Molecular Formula:
C10H10ClNO3
Molecular Weight:
227.6443
IUPAC Name:
benzyl N-(2-chloro-2-oxoethyl)carbamate
InChI:
InChI=1S/C10H10ClNO3/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)
InChI Key:
HJJNNRNPEWJNSR-UHFFFAOYSA-N
SMILES:
O=C(NCC(=O)Cl)OCc1ccccc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.644g/mol
Monoisotopic Mass:
227.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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