Home Halogens 2-(4-chloromethyl-phenyl)-propionic acid ethyl ester

2-(4-chloromethyl-phenyl)-propionic acid ethyl ester

CAS No.:
43153-03-3
Catalog Number:
AG00DEW0
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
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Product Description
Catalog Number:
AG00DEW0
Chemical Name:
2-(4-chloromethyl-phenyl)-propionic acid ethyl ester
CAS Number:
43153-03-3
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
MDL Number:
MFCD15144682
IUPAC Name:
ethyl 2-[4-(chloromethyl)phenyl]propanoate
InChI:
InChI=1S/C12H15ClO2/c1-3-15-12(14)9(2)11-6-4-10(8-13)5-7-11/h4-7,9H,3,8H2,1-2H3
InChI Key:
LJRSKOFNPMYRSO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1)CCl)C
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties