Home Halogens Benzeneacetic acid, 3,4-dichloro-a-cyano-, Methyl ester

Benzeneacetic acid, 3,4-dichloro-a-cyano-, Methyl ester

CAS No.:
849589-04-4
Catalog Number:
AG00GBPA
Molecular Formula:
C10H7Cl2NO2
Molecular Weight:
244.0741
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Product Description
Catalog Number:
AG00GBPA
Chemical Name:
Benzeneacetic acid, 3,4-dichloro-a-cyano-, Methyl ester
CAS Number:
849589-04-4
Molecular Formula:
C10H7Cl2NO2
Molecular Weight:
244.0741
MDL Number:
MFCD19324987
IUPAC Name:
methyl 2-cyano-2-(3,4-dichlorophenyl)acetate
InChI:
InChI=1S/C10H7Cl2NO2/c1-15-10(14)7(5-13)6-2-3-8(11)9(12)4-6/h2-4,7H,1H3
InChI Key:
XURZHUOKWKYITK-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(c(c1)Cl)Cl)C(=O)OC
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.985g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.071g/mol
Monoisotopic Mass:
242.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties