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1736-09-0 | Acetic acid, 2,2,2-trifluoro-, 3-methylphenyl ester
CAS No: 1736-09-0 Catalog No: AG001Z2I MDL No:
Product Description
Catalog Number:
AG001Z2I
Chemical Name:
Acetic acid, 2,2,2-trifluoro-, 3-methylphenyl ester
CAS Number:
1736-09-0
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
IUPAC Name:
(3-methylphenyl) 2,2,2-trifluoroacetate
InChI:
InChI=1S/C9H7F3O2/c1-6-3-2-4-7(5-6)14-8(13)9(10,11)12/h2-5H,1H3
InChI Key:
FXNFSBCSHQEHSB-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)OC(=O)C(F)(F)F
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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