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13698-16-3 | Carbamic acid, N,N-dichloro-, ethyl ester
CAS No: 13698-16-3 Catalog No: AG0012MM MDL No:MFCD00000523
Product Description
Catalog Number:
AG0012MM
Chemical Name:
Carbamic acid, N,N-dichloro-, ethyl ester
CAS Number:
13698-16-3
Molecular Formula:
C3H5Cl2NO2
Molecular Weight:
157.9833
MDL Number:
MFCD00000523
IUPAC Name:
ethyl N,N-dichlorocarbamate
InChI:
InChI=1S/C3H5Cl2NO2/c1-2-8-3(7)6(4)5/h2H2,1H3
InChI Key:
PCGGNOFZZFFFLU-UHFFFAOYSA-N
SMILES:
CCOC(=O)N(Cl)Cl
NSC Number:
211534
Properties
Complexity:
85.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.97g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.978g/mol
Monoisotopic Mass:
156.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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