| CAS Number | 1642156-91-9 |
| Catalog Number | AG00HZ30(AGN-PC-0WQZ8L) |
| Chemical Name | 2-Chloro-5-fluoro-3-nitrobenzoic acid |
| IUPAC Name | 2-chloro-5-fluoro-3-nitrobenzoic acid |
| InChI | InChI=1S/C7H3ClFNO4/c8-6-4(7(11)12)1-3(9)2-5(6)10(13)14/h1-2H,(H,11,12) |
| InChI Key | FBSJHLNNZUVISQ-UHFFFAOYSA-N |
| MDL Number | MFCD28752271 |
| Molecular Formula | C7H3ClFNO4 |
| Molecular Weight | 219.5544 |
| SMILES | Fc1cc([N+](=O)[O-])c(c(c1)C(=O)O)Cl |
| Synonyms | 2-Chloro-5-fluoro-3-nitrobenzoic acid,
1642156-91-9,
AKOS027354729,
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| 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 | 2.8 |
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Certificate of Analysis
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