| CAS Number | 445-65-8 |
| Catalog Number | AG019X2Z(AGN-PC-0JTU6Q) |
| Chemical Name | 2-Fluoro-3,5-dinitrobenzoic acid |
| IUPAC Name | 2-fluoro-3,5-dinitrobenzoic acid |
| InChI | InChI=1S/C7H3FN2O6/c8-6-4(7(11)12)1-3(9(13)14)2-5(6)10(15)16/h1-2H,(H,11,12) |
| InChI Key | VJNLENXGKDEAMI-UHFFFAOYSA-N |
| MDL Number | MFCD00185653 |
| Molecular Formula | C7H3FN2O6 |
| Molecular Weight | 230.1069 |
| SMILES | OC(C1=C(F)C([N+]([O-])=O)=CC([N+]([O-])=O)=C1)=O |
| Synonyms | 2-Fluoro-3,5-dinitrobenzoic acid,
445-65-8,
VJNLENXGKDEAMI-UHFFFAOYSA-N,
AC1LDBAZ,
AC1Q72AP,
SCHEMBL5219288,
CTK5I2371,
ZINC4557326,
2-Fluoro-3,5-dinitrobenzoic acid #,
AKOS008132580,
Benzoic acid, 2-fluoro-3,5-dinitro-,
MCULE-3518950579,
NE21448,
3,5-DINITRO-2-FLUOROBENZOIC ACID,
EN300-53917,
CID615404,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.107g/mol |
| Monoisotopic Mass | 229.998g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number