| CAS Number | 1247451-23-5 |
| Catalog Number | AG01FFRQ(AGN-PC-3H4ACD) |
| Chemical Name | 4-cyclopropyl-3-fluorobenzoic acid |
| IUPAC Name | 4-cyclopropyl-3-fluorobenzoic acid |
| InChI | InChI=1S/C10H9FO2/c11-9-5-7(10(12)13)3-4-8(9)6-1-2-6/h3-6H,1-2H2,(H,12,13) |
| InChI Key | XEHFMFDBQWLSLF-UHFFFAOYSA-N |
| MDL Number | MFCD16778843 |
| Molecular Formula | C10H9FO2 |
| Molecular Weight | 180.1757 |
| SMILES | C1(CC1)C1=C(C=C(C(=O)O)C=C1)F |
| Synonyms | 4-cyclopropyl-3-fluorobenzoic acid,
1247451-23-5,
SCHEMBL662373,
XEHFMFDBQWLSLF-UHFFFAOYSA-N,
AKOS011779761,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.178g/mol |
| Monoisotopic Mass | 180.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number