Home Halogens ethyl 2-chloro-4-phenylbutanoate

ethyl 2-chloro-4-phenylbutanoate

CAS No.:
27356-99-6
Catalog Number:
AG01C832
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
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Product Description
Catalog Number:
AG01C832
Chemical Name:
ethyl 2-chloro-4-phenylbutanoate
CAS Number:
27356-99-6
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
MDL Number:
MFCD17240236
IUPAC Name:
ethyl 2-chloro-4-phenylbutanoate
InChI:
InChI=1S/C12H15ClO2/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChI Key:
RDLGEYYAZNBHHJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CCc1ccccc1)Cl
Properties
Complexity:
188  
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:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties