| CAS Number | 1365272-38-3 |
| Catalog Number | AG00120D(AGN-PC-0GRXP9) |
| Chemical Name | 4-Bromo-N-cyclohexyl-5-fluoro-2-nitroaniline |
| IUPAC Name | 4-bromo-N-cyclohexyl-5-fluoro-2-nitroaniline |
| InChI | InChI=1S/C12H14BrFN2O2/c13-9-6-12(16(17)18)11(7-10(9)14)15-8-4-2-1-3-5-8/h6-8,15H,1-5H2 |
| InChI Key | YTSKGXPDJMHEHH-UHFFFAOYSA-N |
| MDL Number | MFCD21609495 |
| Molecular Formula | C12H14BrFN2O2 |
| Molecular Weight | 317.1542 |
| SMILES | Fc1cc(NC2CCCCC2)c(cc1Br)[N+](=O)[O-] |
| Synonyms | 4-Bromo-N-cyclohexyl-5-fluoro-2-nitroaniline,
1365272-38-3,
C12H14BrFN2O2,
ACMC-209c80,
CTK8B0543,
DTXSID70734966,
ANW-20110,
MFCD21609495,
ZINC85477079,
AKOS015452938,
CJ-22418,
TC-108855,
V2604,
B-8894,
Benzenamine, 4-bromo-N-cyclohexyl-5-fluoro-2-nitro-,
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| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.158g/mol |
| Monoisotopic Mass | 316.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number