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31083-13-3 | Acetic acid, 2,2,2-trifluoro-, 2-ethylphenyl ester
CAS No: 31083-13-3 Catalog No: AG00322G MDL No:MFCD00013556
Product Description
Catalog Number:
AG00322G
Chemical Name:
Acetic acid, 2,2,2-trifluoro-, 2-ethylphenyl ester
CAS Number:
31083-13-3
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD00013556
IUPAC Name:
ethyl 2-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H9F3O2/c1-2-15-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6H,2H2,1H3
InChI Key:
BQLMZZVRHPZRBQ-UHFFFAOYSA-N
SMILES:
CCc1ccccc1OC(=O)C(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:
2
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