| CAS Number | 1280786-89-1 |
| Catalog Number | AG000XSD(AGN-PC-0WD0MN) |
| Chemical Name | 4-Bromo-N-butyl-5-ethoxy-2-nitroaniline |
| IUPAC Name | 4-bromo-N-butyl-5-ethoxy-2-nitroaniline |
| InChI | InChI=1S/C12H17BrN2O3/c1-3-5-6-14-10-8-12(18-4-2)9(13)7-11(10)15(16)17/h7-8,14H,3-6H2,1-2H3 |
| InChI Key | RIJGVEMBLMAOLV-UHFFFAOYSA-N |
| MDL Number | MFCD18783111 |
| Molecular Formula | C12H17BrN2O3 |
| Molecular Weight | 317.1790 |
| SMILES | CCCCNc1cc(OCC)c(cc1[N+](=O)[O-])Br |
| Synonyms | 4-BROMO-N-BUTYL-5-ETHOXY-2-NITROANILINE,
1280786-89-1,
ACMC-209bec,
CTK8A9985,
DTXSID00681510,
ANW-19042,
MFCD18783111,
ZINC65336900,
AKOS015908068,
CJ-21010,
AJ-114929,
AX8228949,
TC-107787,
ST24023420,
Z9414,
A-3263,
Benzenamine, 4-bromo-N-butyl-5-ethoxy-2-nitro-,
I14-24801,
C12H17BrN2O3,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.183g/mol |
| Monoisotopic Mass | 316.042g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number