| CAS Number | 1280786-70-0 |
| Catalog Number | AG000XRS(AGN-PC-0WCCQD) |
| Chemical Name | 4-Bromo-N-butyl-5-methoxy-2-nitroaniline |
| IUPAC Name | 4-bromo-N-butyl-5-methoxy-2-nitroaniline |
| InChI | InChI=1S/C11H15BrN2O3/c1-3-4-5-13-9-7-11(17-2)8(12)6-10(9)14(15)16/h6-7,13H,3-5H2,1-2H3 |
| InChI Key | LJMISLNQOMYFLF-UHFFFAOYSA-N |
| MDL Number | MFCD18783110 |
| Molecular Formula | C11H15BrN2O3 |
| Molecular Weight | 303.1524 |
| SMILES | CCCCNc1cc(OC)c(cc1[N+](=O)[O-])Br |
| Synonyms | 4-BROMO-N-BUTYL-5-METHOXY-2-NITROANILINE,
1280786-70-0,
ACMC-209bdu,
CTK8A9967,
DTXSID90681509,
ANW-19024,
MFCD18783110,
ZINC65336898,
AKOS015908067,
CJ-21009,
AJ-114928,
AX8228951,
TC-107769,
ST24023422,
Z9397,
A-3265,
Benzenamine, 4-bromo-N-butyl-5-methoxy-2-nitro-,
I14-24800,
C11H15BrN2O3,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.156g/mol |
| Monoisotopic Mass | 302.027g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number