| CAS Number | 167758-88-5 |
| Catalog Number | AG001XKT(AGN-PC-0WCQY3) |
| Chemical Name | Benzoic acid, 4-fluoro-2-methyl-, ethyl ester |
| IUPAC Name | ethyl 4-fluoro-2-methylbenzoate |
| InChI | InChI=1S/C10H11FO2/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3 |
| InChI Key | RLCFHMSCTWXLTQ-UHFFFAOYSA-N |
| MDL Number | MFCD06204529 |
| Molecular Formula | C10H11FO2 |
| Molecular Weight | 182.1915 |
| SMILES | O=C(OCC)C1=CC=C(F)C=C1C |
| Synonyms | ETHYL 4-FLUORO-2-METHYLBENZOATE,
167758-88-5,
4-Fluoro-2-methylbenzoic acid ethyl ester,
Benzoic acid, 4-fluoro-2-methyl-, ethyl ester,
ethyl 5-fluoro-o-toluate,
SCHEMBL5247862,
RLCFHMSCTWXLTQ-UHFFFAOYSA-N,
MFCD06204529,
QC-262,
ZINC43503580,
AKOS006293745,
SC-61416,
FT-0734751,
Z1465997979,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.194g/mol |
| Monoisotopic Mass | 182.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number