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89736-51-6 | Carbamic acid, acetylchloro-, ethyl ester
CAS No: 89736-51-6 Catalog No: AG00416J MDL No:
Product Description
Catalog Number:
AG00416J
Chemical Name:
Carbamic acid, acetylchloro-, ethyl ester
CAS Number:
89736-51-6
Molecular Formula:
C5H8ClNO3
Molecular Weight:
165.5749
IUPAC Name:
ethyl N-acetyl-N-chlorocarbamate
InChI:
InChI=1S/C5H8ClNO3/c1-3-10-5(9)7(6)4(2)8/h3H2,1-2H3
InChI Key:
GWMPFGKSVISZAE-UHFFFAOYSA-N
SMILES:
CCOC(=O)N(C(=O)C)Cl
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.019g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.573g/mol
Monoisotopic Mass:
165.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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