Home Other Building Blocks 2-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID METHYL ESTER

2-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID METHYL ESTER

CAS No.:
175225-47-5
Catalog Number:
AG01DYVB
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
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Product Description
Catalog Number:
AG01DYVB
Chemical Name:
2-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID METHYL ESTER
CAS Number:
175225-47-5
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
MDL Number:
MFCD16808393
IUPAC Name:
methyl 2-[3-(trifluoromethyl)phenyl]propanoate
InChI:
InChI=1S/C11H11F3O2/c1-7(10(15)16-2)8-4-3-5-9(6-8)11(12,13)14/h3-7H,1-2H3
InChI Key:
ZGNWEBJIWYNENA-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cccc(c1)C(F)(F)F)C
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.202g/mol
Monoisotopic Mass:
232.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties