| CAS Number | 3556-52-3 |
| Catalog Number | AG00C6WD(AGN-PC-008TTN) |
| Chemical Name | 3-Fluoro-4-nitrobenzamide |
| IUPAC Name | 3-fluoro-4-nitrobenzamide |
| InChI | InChI=1S/C7H5FN2O3/c8-5-3-4(7(9)11)1-2-6(5)10(12)13/h1-3H,(H2,9,11) |
| InChI Key | CKHYKLBLOPFXTB-UHFFFAOYSA-N |
| MDL Number | MFCD16658739 |
| Molecular Formula | C7H5FN2O3 |
| Molecular Weight | 184.1246 |
| SMILES | FC=1C=C(C(=O)N)C=CC1[N+](=O)[O-] |
| Synonyms | 3-Fluoro-4-nitrobenzamide,
3556-52-3,
Benzamide, 3-fluoro-4-nitro-,
3-fluoro-4-nitro-benzamide,
SCHEMBL1937077,
CTK1B6847,
DTXSID10465388,
CKHYKLBLOPFXTB-UHFFFAOYSA-N,
MFCD16658739,
ZINC34545889,
AKOS011976478,
CID11423967,
3-Fluoro-4-nitrobenzamide, 95% - 1G 1g,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.126g/mol |
| Monoisotopic Mass | 184.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number