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Home Halogens Benzenepropanoic acid, α,4-dichloro-, methyl ester

Benzenepropanoic acid, α,4-dichloro-, methyl ester

CAS No.:
14437-17-3
Catalog Number:
AG001JFE
Molecular Formula:
C10H10Cl2O2
Molecular Weight:
233.0912
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Product Description
Catalog Number:
AG001JFE
Chemical Name:
Benzenepropanoic acid, α,4-dichloro-, methyl ester
CAS Number:
14437-17-3
Molecular Formula:
C10H10Cl2O2
Molecular Weight:
233.0912
MDL Number:
MFCD00055268
IUPAC Name:
methyl 2-chloro-3-(4-chlorophenyl)propanoate
InChI:
InChI=1S/C10H10Cl2O2/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3
InChI Key:
YJKIALIXRCSISK-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1ccc(cc1)Cl)Cl
EC Number:
238-413-5
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.088g/mol
Monoisotopic Mass:
232.006g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Alkylating reactivity and herbicidal activity of chloroacetamides. Pest management science 20030401
Properties