| CAS Number | 139229-60-0 |
| Catalog Number | AG01AV09(AGN-PC-0039UM) |
| Chemical Name | 1-(4-Fluorobenzyl)cyclopropanecarboxylic acid |
| IUPAC Name | 1-[(4-fluorophenyl)methyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H11FO2/c12-9-3-1-8(2-4-9)7-11(5-6-11)10(13)14/h1-4H,5-7H2,(H,13,14) |
| InChI Key | JESFUYHNUATMNP-UHFFFAOYSA-N |
| MDL Number | MFCD11848880 |
| Molecular Formula | C11H11FO2 |
| Molecular Weight | 194.2022 |
| SMILES | FC1=CC=C(CC2(CC2)C(=O)O)C=C1 |
| Synonyms | 139229-60-0,
1-[(4-Fluorophenyl)methyl]cyclopropane-1-carboxylic acid,
1-(4-Fluorobenzyl)cyclopropanecarboxylic acid,
SCHEMBL9314436,
JESFUYHNUATMNP-UHFFFAOYSA-N,
ZINC34425090,
AKOS014312075,
KS-7860,
MCULE-2882647114,
NE47651,
SB21345,
1-(4-fluorobenzyl)-cyclopropanecarboxylic acid,
1-(4-Fluoro-benzyl)-cyclopropanecarboxylic acid,
Z1770193507,
|
| Complexity | 227 |
| 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