| CAS Number | 1629126-39-1 |
| Catalog Number | AG01E7P2 |
| Chemical Name | 4-bromo-N-cyclohexyl-N-(2-methylpropyl)-2-nitroaniline |
| IUPAC Name | 4-bromo-N-cyclohexyl-N-(2-methylpropyl)-2-nitroaniline |
| InChI | InChI=1S/C16H23BrN2O2/c1-12(2)11-18(14-6-4-3-5-7-14)15-9-8-13(17)10-16(15)19(20)21/h8-10,12,14H,3-7,11H2,1-2H3 |
| InChI Key | GCKWQEGQAWYOGH-UHFFFAOYSA-N |
| MDL Number | MFCD31381051 |
| Molecular Formula | C16H23BrN2O2 |
| Molecular Weight | 355.27 |
| SMILES | CC(CN(C1=C([N+]([O-])=O)C=C(Br)C=C1)C1CCCCC1)C |
| Synonyms | SCHEMBL16096627,
GCKWQEGQAWYOGH-UHFFFAOYSA-N,
DB-106679,
4-bromo-N-cyclohexyl-N-isobutyl-2-nitroaniline,
1629126-39-1,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.09429g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.27g/mol |
| Monoisotopic Mass | 354.09429g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number