| CAS Number | 1613413-65-2 |
| Catalog Number | AG01FFRO(AGN-PC-3H4ACA) |
| Chemical Name | Methyl 4-cyclopropyl-2-fluorobenzoate |
| IUPAC Name | methyl 4-cyclopropyl-2-fluorobenzoate |
| InChI | InChI=1S/C11H11FO2/c1-14-11(13)9-5-4-8(6-10(9)12)7-2-3-7/h4-7H,2-3H2,1H3 |
| InChI Key | BZTJRZDYUFPZNF-UHFFFAOYSA-N |
| MDL Number | MFCD28155009 |
| Molecular Formula | C11H11FO2 |
| Molecular Weight | 194.2022 |
| SMILES | C1(CC1)C1=CC(=C(C(=O)OC)C=C1)F |
| Synonyms | methyl 4-cyclopropyl-2-fluorobenzoate,
SCHEMBL15778750,
BZTJRZDYUFPZNF-UHFFFAOYSA-N,
ZINC146798910,
1613413-65-2,
A1-09879,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.205g/mol |
| Monoisotopic Mass | 194.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number