| CAS Number | 951666-45-8 |
| Catalog Number | AG00IISN(AGN-PC-0WOL0H) |
| Chemical Name | N-butyl-5-fluoro-2-nitroaniline |
| IUPAC Name | N-butyl-5-fluoro-2-nitroaniline |
| InChI | InChI=1S/C10H13FN2O2/c1-2-3-6-12-9-7-8(11)4-5-10(9)13(14)15/h4-5,7,12H,2-3,6H2,1H3 |
| InChI Key | USLBMCNRNJPDOZ-UHFFFAOYSA-N |
| MDL Number | MFCD16744222 |
| Molecular Formula | C10H13FN2O2 |
| Molecular Weight | 212.2208 |
| SMILES | [O-][N+](=O)c1ccc(cc1NCCCC)F |
| Synonyms | N-butyl-5-fluoro-2-nitroaniline,
951666-45-8,
SCHEMBL1283854,
USLBMCNRNJPDOZ-UHFFFAOYSA-N,
N1-butyl-5-fluoro-2-nitroaniline,
2-n-butylamino-4-fluoronitrobenzene,
N1-butyl-5-fluoro-2-nitro-aniline,
ZINC52119157,
AKOS011664846,
V9500,
C10H13FN2O2,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.224g/mol |
| Monoisotopic Mass | 212.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number