Home Halogens methyl 2-chloro-3-phenylbutanoate

methyl 2-chloro-3-phenylbutanoate

CAS No.:
1251140-31-4
Catalog Number:
AG01A4D6
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
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Product Description
Catalog Number:
AG01A4D6
Chemical Name:
methyl 2-chloro-3-phenylbutanoate
CAS Number:
1251140-31-4
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
MDL Number:
MFCD16694259
IUPAC Name:
methyl 2-chloro-3-phenylbutanoate
InChI:
InChI=1S/C11H13ClO2/c1-8(10(12)11(13)14-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChI Key:
TVPXLYSPHBATPL-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(c1ccccc1)C)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:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties