Home Halogens Ethyl 3-(3-chlorophenyl)-3-cyano-2-oxopropanoate

Ethyl 3-(3-chlorophenyl)-3-cyano-2-oxopropanoate

CAS No.:
38747-02-3
Catalog Number:
AG003I29
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
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Product Description
Catalog Number:
AG003I29
Chemical Name:
Ethyl 3-(3-chlorophenyl)-3-cyano-2-oxopropanoate
CAS Number:
38747-02-3
Molecular Formula:
C12H10ClNO3
Molecular Weight:
251.6657
MDL Number:
MFCD16327924
IUPAC Name:
ethyl 3-(3-chlorophenyl)-3-cyano-2-oxopropanoate
InChI:
InChI=1S/C12H10ClNO3/c1-2-17-12(16)11(15)10(7-14)8-4-3-5-9(13)6-8/h3-6,10H,2H2,1H3
InChI Key:
QUFNXWLCJNRBFC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)C(c1cccc(c1)Cl)C#N
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.035g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.666g/mol
Monoisotopic Mass:
251.035g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties