| CAS Number | 712-70-9 |
| Catalog Number | AG01A3BU(AGN-PC-03TXUP) |
| Chemical Name | 3-Fluoro-2-naphthoic acid |
| IUPAC Name | 3-fluoronaphthalene-2-carboxylic acid |
| InChI | InChI=1S/C11H7FO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14) |
| InChI Key | VDXLBIXGGFGMRQ-UHFFFAOYSA-N |
| MDL Number | MFCD18412317 |
| Molecular Formula | C11H7FO2 |
| Molecular Weight | 190.1705 |
| SMILES | FC=1C(=CC2=CC=CC=C2C1)C(=O)O |
| Synonyms | 3-fluoro-2-naphthoic acid,
712-70-9,
3-fluoronaphthalene-2-carboxylic acid,
2-Naphthalenecarboxylic acid, 3-fluoro-,
SCHEMBL3826356,
VDXLBIXGGFGMRQ-UHFFFAOYSA-N,
AKOS028114405,
ZINC147232119,
Z2798559826,
N/A,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.173g/mol |
| Monoisotopic Mass | 190.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number