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344-96-7 | Methyl 2-(trifluoromethyl);benzoate
CAS No: 344-96-7 Catalog No: AG003RL5 MDL No:MFCD00236050
Product Description
Catalog Number:
AG003RL5
Chemical Name:
Methyl 2-(trifluoromethyl);benzoate
CAS Number:
344-96-7
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD00236050
IUPAC Name:
methyl 2-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H7F3O2/c1-14-8(13)6-4-2-3-5-7(6)9(10,11)12/h2-5H,1H3
InChI Key:
JLCAMDSWNZBTEE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1C(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:
1.7
Literature
| Title | Journal |
|---|---|
| Enzyme-catalysed synthesis and reactions of benzene oxide/oxepine derivatives of methyl benzoates. | Organic & biomolecular chemistry 20080407 |
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