| CAS Number | 1365271-69-7 |
| Catalog Number | AG0011Z1(AGN-PC-0WAA1W) |
| Chemical Name | 4-Bromo-2,3-difluoro-N-isopropyl-6-nitroaniline |
| IUPAC Name | 4-bromo-2,3-difluoro-6-nitro-N-propan-2-ylaniline |
| InChI | InChI=1S/C9H9BrF2N2O2/c1-4(2)13-9-6(14(15)16)3-5(10)7(11)8(9)12/h3-4,13H,1-2H3 |
| InChI Key | QOYVWOSVTZRFAC-UHFFFAOYSA-N |
| MDL Number | MFCD21609506 |
| Molecular Formula | C9H9BrF2N2O2 |
| Molecular Weight | 295.0808 |
| SMILES | CC(Nc1c(cc(c(c1F)F)Br)[N+](=O)[O-])C |
| Synonyms | 4-Bromo-2,3-difluoro-N-isopropyl-6-nitroaniline,
1365271-69-7,
ACMC-209c6k,
CTK8B0491,
DTXSID90742846,
ANW-20058,
MFCD21609506,
ZINC85477004,
AKOS025294413,
TC-108803,
V2559,
B-8892,
4-Bromo-2,3-difluoro-6-nitro-N-(propan-2-yl)aniline,
Benzenamine, 4-bromo-2,3-difluoro-N-(1-methylethyl)-6-nitro-,
C9H9BrF2N2O2,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.084g/mol |
| Monoisotopic Mass | 293.982g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number