| CAS Number | 135325-18-7 |
| Catalog Number | AG009X5P(AGN-PC-0NK0GZ) |
| Chemical Name | Benzeneacetic acid, 4-(trifluoromethyl)-, methyl ester |
| IUPAC Name | methyl 2-[4-(trifluoromethyl)phenyl]acetate |
| InChI | InChI=1S/C10H9F3O2/c1-15-9(14)6-7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3 |
| InChI Key | ONNMKZXKTBYWFA-UHFFFAOYSA-N |
| MDL Number | MFCD08669944 |
| Molecular Formula | C10H9F3O2 |
| Molecular Weight | 218.1725 |
| SMILES | C(F)(F)(F)c1ccc(cc1)CC(=O)OC |
| Synonyms | methyl 2-[4-(trifluoromethyl)phenyl]acetate,
135325-18-7,
Benzeneacetic acid, 4-(trifluoromethyl)-, methyl ester,
methyl 2-(4-(trifluoromethyl)phenyl)acetate,
SCHEMBL841124,
ONNMKZXKTBYWFA-UHFFFAOYSA-N,
ZINC39271918,
Methyl 4-trifluoromethylbenzeneacetate,
AKOS009098670,
MCULE-8382402428,
Methyl [4-(trifluoromethyl)phenyl]acetate,
CS-0037997,
Z9913,
K-4284,
(4-Trifluoromethylphenyl)acetic acid methyl ester,
4-(Trifluoromethyl)phenylacetic acid methyl ester,
[4-(Trifluoromethyl)phenyl]acetic acid methyl ester,
Z210312482,
C10H9F3O2,
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| Complexity | 217 |
| 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 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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