Home Other Building Blocks methyl 2-(2,2,2-trifluoroethyl)benzoate

methyl 2-(2,2,2-trifluoroethyl)benzoate

CAS No.:
1933473-33-6
Catalog Number:
AG01EIPV
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
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Product Description
Catalog Number:
AG01EIPV
Chemical Name:
methyl 2-(2,2,2-trifluoroethyl)benzoate
CAS Number:
1933473-33-6
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
IUPAC Name:
methyl 2-(2,2,2-trifluoroethyl)benzoate
InChI:
InChI=1S/C10H9F3O2/c1-15-9(14)8-5-3-2-4-7(8)6-10(11,12)13/h2-5H,6H2,1H3
InChI Key:
OEMGTCBNGXNNAX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1CC(F)(F)F
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties