| CAS Number | 1194097-41-0 |
| Catalog Number | AG01A9R6 |
| Chemical Name | 2-Amino-4-fluoro-5-nitrobenzoic acid |
| IUPAC Name | 2-amino-4-fluoro-5-nitrobenzoic acid |
| InChI | InChI=1S/C7H5FN2O4/c8-4-2-5(9)3(7(11)12)1-6(4)10(13)14/h1-2H,9H2,(H,11,12) |
| InChI Key | NVZBXVCRFGPOAJ-UHFFFAOYSA-N |
| MDL Number | MFCD22369994 |
| Molecular Formula | C7H5FN2O4 |
| Molecular Weight | 200.1240 |
| SMILES | NC1=C(C(=O)O)C=C(C(=C1)F)[N+](=O)[O-] |
| Synonyms | 2-amino-4-fluoro-5-nitrobenzoic acid,
1194097-41-0,
SCHEMBL13999989,
ZINC74942615,
NE32516,
RP25767,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.125g/mol |
| Monoisotopic Mass | 200.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number