| CAS Number | 1272927-57-7 |
| Catalog Number | AG01BNRE(AGN-PC-0WNPXY) |
| Chemical Name | 4-bromo-N,N-bis(2-methylpropyl)-2-nitroaniline |
| IUPAC Name | 4-bromo-N,N-bis(2-methylpropyl)-2-nitroaniline |
| InChI | InChI=1S/C14H21BrN2O2/c1-10(2)8-16(9-11(3)4)13-6-5-12(15)7-14(13)17(18)19/h5-7,10-11H,8-9H2,1-4H3 |
| InChI Key | KALFOVPLZHMDEC-UHFFFAOYSA-N |
| MDL Number | MFCD19149894 |
| Molecular Formula | C14H21BrN2O2 |
| Molecular Weight | 329.2327 |
| SMILES | CC(CN(C1=C([N+]([O-])=O)C=C(Br)C=C1)CC(C)C)C |
| Synonyms | 4-bromo-N,N-bis(2-methylpropyl)-2-nitroaniline,
1272927-57-7,
SCHEMBL16097975,
KALFOVPLZHMDEC-UHFFFAOYSA-N,
AKOS006205656,
ZINC103973405,
4-bromo-N,N-diisobutyl-2-nitroaniline,
Benzenamine,4-bromo-N,N-bis(2-methylpropyl)-2-nitro-,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.238g/mol |
| Monoisotopic Mass | 328.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number