| CAS Number | 577-39-9 |
| Catalog Number | AG00ELNE(AGN-PC-0WOIQY) |
| Chemical Name | 3-Fluoro-4-methoxy-5-nitrobenzoic Acid |
| IUPAC Name | 3-fluoro-4-methoxy-5-nitrobenzoic acid |
| InChI | InChI=1S/C8H6FNO5/c1-15-7-5(9)2-4(8(11)12)3-6(7)10(13)14/h2-3H,1H3,(H,11,12) |
| InChI Key | FZVATVOZGBMDRQ-UHFFFAOYSA-N |
| MDL Number | MFCD12173014 |
| Molecular Formula | C8H6FNO5 |
| Molecular Weight | 215.1353 |
| SMILES | N(=O)(=O)c1c(OC)c(F)cc(c1)C(=O)O |
| Synonyms | 3-fluoro-4-methoxy-5-nitrobenzoic acid,
577-39-9,
MFCD12173014,
ZINC35333642,
AKOS009485784,
AS-41077,
AB0091724,
3-fluoro-4-methoxy-5-nitro-benzoic acid,
3-fluoro-4-methoxy-5-nitrobenzoic acid, 95% - 1G 1g,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.136g/mol |
| Monoisotopic Mass | 215.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number