| CAS Number | 182551-18-4 |
| Catalog Number | AG0023ZB(AGN-PC-0WNOHA) |
| Chemical Name | 2-Fluoro-N-methyl-6-nitroaniline |
| IUPAC Name | 2-fluoro-N-methyl-6-nitroaniline |
| InChI | InChI=1S/C7H7FN2O2/c1-9-7-5(8)3-2-4-6(7)10(11)12/h2-4,9H,1H3 |
| InChI Key | WSXFKUQRBSITJO-UHFFFAOYSA-N |
| MDL Number | MFCD23725947 |
| Molecular Formula | C7H7FN2O2 |
| Molecular Weight | 170.1411 |
| SMILES | O=[N+](C1=C(C(F)=CC=C1)NC)[O-] |
| Synonyms | 2-fluoro-N-methyl-6-nitroaniline,
182551-18-4,
Benzenamine, 2-fluoro-N-methyl-6-nitro-,
SCHEMBL4725240,
WSXFKUQRBSITJO-UHFFFAOYSA-N,
ZINC83824171,
2-fluoro-N-methyl-6-nitrobenzenamine,
AKOS017530967,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.143g/mol |
| Monoisotopic Mass | 170.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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