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Home > Fluorides > 1214346-57-2
1214346-57-2 | 2-Methyl-3-trifluoromethyl-benzoic acid ethyl ester
CAS No: 1214346-57-2 Catalog No: AG01F8P3 MDL No:
Product Description
Catalog Number:
AG01F8P3
Chemical Name:
2-Methyl-3-trifluoromethyl-benzoic acid ethyl ester
CAS Number:
1214346-57-2
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
IUPAC Name:
ethyl 2-methyl-3-(trifluoromethyl)benzoate
InChI:
InChI=1S/C11H11F3O2/c1-3-16-10(15)8-5-4-6-9(7(8)2)11(12,13)14/h4-6H,3H2,1-2H3
InChI Key:
FCHPRPXJTYBYGF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1C)C(F)(F)F
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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