| CAS Number | 1153279-85-6 |
| Catalog Number | AG01FCW6(AGN-PC-3H49NP) |
| Chemical Name | 5-Chloro-2-fluoro-3-nitrobenzoic acid |
| IUPAC Name | 5-chloro-2-fluoro-3-nitrobenzoic acid |
| InChI | InChI=1S/C7H3ClFNO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12) |
| InChI Key | FFLWLOLRLIMBGA-UHFFFAOYSA-N |
| MDL Number | MFCD12173034 |
| Molecular Formula | C7H3ClFNO4 |
| Molecular Weight | 219.5544 |
| SMILES | C1=C(C=C(C(=C1C(=O)O)F)[N+](=O)[O-])Cl |
| Synonyms | 5-Chloro-2-fluoro-3-nitrobenzoic acid,
1153279-85-6,
SCHEMBL1461739,
DTXSID70656058,
FFLWLOLRLIMBGA-UHFFFAOYSA-N,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.552g/mol |
| Monoisotopic Mass | 218.973g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number