| CAS Number | 1280786-63-1 |
| Catalog Number | AG000XRZ(AGN-PC-0WCCQC) |
| Chemical Name | 4-Bromo-N-butyl-5-fluoro-2-nitroaniline |
| IUPAC Name | 4-bromo-N-butyl-5-fluoro-2-nitroaniline |
| InChI | InChI=1S/C10H12BrFN2O2/c1-2-3-4-13-9-6-8(12)7(11)5-10(9)14(15)16/h5-6,13H,2-4H2,1H3 |
| InChI Key | MADGKUFFNLQJMI-UHFFFAOYSA-N |
| MDL Number | MFCD18783109 |
| Molecular Formula | C10H12BrFN2O2 |
| Molecular Weight | 291.1169 |
| SMILES | [O-][N+](=O)c1cc(Br)c(cc1NCCCC)F |
| Synonyms | 4-BROMO-N-BUTYL-5-FLUORO-2-NITROANILINE,
1280786-63-1,
ACMC-209bdn,
CTK8A9960,
DTXSID30681508,
ANW-19017,
MFCD18783109,
ZINC65336896,
AKOS015155855,
CJ-21008,
AJ-114927,
AX8228950,
BC4713688,
TC-107762,
ST24023421,
Z9390,
A-3264,
Benzenamine, 4-bromo-N-butyl-5-fluoro-2-nitro-,
I14-24799,
C10H12BrFN2O2,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.12g/mol |
| Monoisotopic Mass | 290.007g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number