| CAS Number | 56427-66-8 |
| Catalog Number | AG00EFWL(AGN-PC-039CGL) |
| Chemical Name | Ethyl 5-fluoro-2-methylbenzoate |
| IUPAC Name | ethyl 5-fluoro-2-methylbenzoate |
| InChI | InChI=1S/C10H11FO2/c1-3-13-10(12)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3 |
| InChI Key | YHLOQCFVXBQZIK-UHFFFAOYSA-N |
| MDL Number | MFCD06204528 |
| Molecular Formula | C10H11FO2 |
| Molecular Weight | 182.1915 |
| SMILES | FC=1C=CC(=C(C(=O)OCC)C1)C |
| Synonyms | ethyl 5-fluoro-2-methylbenzoate,
56427-66-8,
RARECHEM AL BI 0505,
SCHEMBL10562029,
ZINC21299627,
AKOS009147130,
TL8003652,
FT-0723110,
Benzoic acid, 5-fluoro-2-methyl-, ethyl ester,
RARECHEMALBI0505,
|
| 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
Certificate of Analysis
Lot Number