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140111-58-6 | Acetic acid, 2,2,2-trifluoro-, 2-(2-methylphenyl)ethyl ester
CAS No: 140111-58-6 Catalog No: AG001C1J MDL No:
Product Description
Catalog Number:
AG001C1J
Chemical Name:
Acetic acid, 2,2,2-trifluoro-, 2-(2-methylphenyl)ethyl ester
CAS Number:
140111-58-6
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
IUPAC Name:
2-(2-methylphenyl)ethyl 2,2,2-trifluoroacetate
InChI:
InChI=1S/C11H11F3O2/c1-8-4-2-3-5-9(8)6-7-16-10(15)11(12,13)14/h2-5H,6-7H2,1H3
InChI Key:
OJUHDDHJDXHXOO-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)OCCc1ccccc1C
Properties
Complexity:
238
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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