| CAS Number | 1267316-41-5 |
| Catalog Number | AG01AV5D(AGN-PC-0WOV1V) |
| Chemical Name | 1-[(2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-[(2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H11FO2/c12-9-4-2-1-3-8(9)7-11(5-6-11)10(13)14/h1-4H,5-7H2,(H,13,14) |
| InChI Key | RLTHGOMIUBXLQH-UHFFFAOYSA-N |
| MDL Number | MFCD19314754 |
| Molecular Formula | C11H11FO2 |
| Molecular Weight | 194.2022 |
| SMILES | O=C(C1(CC2=CC=CC=C2F)CC1)O |
| Synonyms | 1-[(2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid,
1267316-41-5,
1-(2-Fluorobenzyl)cyclopropanecarboxylic acid,
SCHEMBL9314416,
ZINC49807316,
AKOS014313951,
KS-7791,
MCULE-8040138369,
NE35899,
Z1787355945,
|
| Complexity | 235 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.205g/mol |
| Monoisotopic Mass | 194.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number