| CAS Number | 574-97-0 |
| Catalog Number | AG01DICS(AGN-PC-0OCKTV) |
| Chemical Name | 1-Fluoronaphthalene-2-carboxylic acid |
| IUPAC Name | 1-fluoronaphthalene-2-carboxylic acid |
| InChI | InChI=1S/C11H7FO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14) |
| InChI Key | XKFQSLSAPMCGQS-UHFFFAOYSA-N |
| MDL Number | MFCD16990867 |
| Molecular Formula | C11H7FO2 |
| Molecular Weight | 190.1705 |
| SMILES | C1=CC=C2C(=C1)C=CC(=C2F)C(=O)O |
| Synonyms | 1-fluoronaphthalene-2-carboxylic acid,
574-97-0,
1-Fluoro-2-naphthoic acid,
fluoro-2-naphthoic acid,
SCHEMBL14150439,
XKFQSLSAPMCGQS-UHFFFAOYSA-N,
MFCD16990867,
ZINC75914851,
AKOS023125774,
FCH1145607,
AS-55019,
BBV-39726878,
TZ000929,
|
| 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