| CAS Number | 1000162-34-4 |
| Catalog Number | AG00H948 |
| Chemical Name | 3-Chloro-2-fluoro-5-nitrobenzoic acid |
| IUPAC Name | 3-chloro-2-fluoro-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H3ClFNO4/c8-5-2-3(10(13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12) |
| InChI Key | JJVRJAIWWGHMNB-UHFFFAOYSA-N |
| MDL Number | MFCD23701946 |
| Molecular Formula | C7H3ClFNO4 |
| Molecular Weight | 219.5544 |
| SMILES | OC(C1=C(F)C(Cl)=CC([N+]([O-])=O)=C1)=O |
| Synonyms | 3-chloro-2-fluoro-5-nitrobenzoic acid,
1000162-34-4,
SCHEMBL12931078,
MFCD23701946,
ZINC88121871,
AKOS019836688,
MCULE-2533611766,
NE60966,
Z1815156944,
|
| 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