| CAS Number | 378231-19-7 |
| Catalog Number | AG00CLSL(AGN-PC-04Z0ZQ) |
| Chemical Name | Methyl 2-chloro-3-(trifluoromethyl)benzoate |
| IUPAC Name | methyl 2-chloro-3-(trifluoromethyl)benzoate |
| InChI | InChI=1S/C9H6ClF3O2/c1-15-8(14)5-3-2-4-6(7(5)10)9(11,12)13/h2-4H,1H3 |
| InChI Key | LEECXUQPLLXGGK-UHFFFAOYSA-N |
| MDL Number | MFCD06203770 |
| Molecular Formula | C9H6ClF3O2 |
| Molecular Weight | 238.5909 |
| SMILES | COC(=O)c1cccc(c1Cl)C(F)(F)F |
| Synonyms | METHYL 2-CHLORO-3-(TRIFLUOROMETHYL)BENZOATE,
378231-19-7,
2-CHLORO-3-(TRIFLUOROMETHYL)PHENYL ACETATE,
SCHEMBL6706507,
CTK6J0554,
LEECXUQPLLXGGK-UHFFFAOYSA-N,
MFCD06203770,
ZINC21304757,
AKOS026673681,
ACM378231197,
CJ-16959,
Methyl 2-Chloro-3-trifluoromethylbenzoate,
SC-40185,
2-Chloro-3-trifluoromethyl methyl benzoate,
Z0557,
TL800742094,
Q-7954,
2-chloro3-trifluoromethyl-benzoic acid methyl ester,
Not Available,
C9H6ClF3O2,
2-CHLORO-3- PHENYLACETATE,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.59g/mol |
| Monoisotopic Mass | 238.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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