| CAS Number | 1026347-56-7 |
| Catalog Number | AG01BKK7(AGN-PC-0WCMEG) |
| Chemical Name | 2-Fluoro-4-mercaptobenzoic acid |
| IUPAC Name | 2-fluoro-4-sulfanylbenzoic acid |
| InChI | InChI=1S/C7H5FO2S/c8-6-3-4(11)1-2-5(6)7(9)10/h1-3,11H,(H,9,10) |
| InChI Key | CBDZATKHEQYKOT-UHFFFAOYSA-N |
| MDL Number | MFCD12756691 |
| Molecular Formula | C7H5FO2S |
| Molecular Weight | 172.1768 |
| SMILES | FC1=C(C(=O)O)C=CC(=C1)S |
| Synonyms | 2-FLUORO-4-MERCAPTOBENZOIC ACID,
1026347-56-7,
ZINC38325688,
2-fluoro-4-sulfanyl-benzoic Acid,
CID11171238,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.173g/mol |
| Monoisotopic Mass | 171.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number