| CAS Number | 1261927-35-8 |
| Catalog Number | AG000S6P(AGN-PC-0WCCQM) |
| Chemical Name | 4-Bromo-5-Fluoro-2-Nitro-N-Propylaniline |
| IUPAC Name | 4-bromo-5-fluoro-2-nitro-N-propylaniline |
| InChI | InChI=1S/C9H10BrFN2O2/c1-2-3-12-8-5-7(11)6(10)4-9(8)13(14)15/h4-5,12H,2-3H2,1H3 |
| InChI Key | OQKJMCBZXPDHHY-UHFFFAOYSA-N |
| MDL Number | MFCD18311824 |
| Molecular Formula | C9H10BrFN2O2 |
| Molecular Weight | 277.0903 |
| SMILES | [O-][N+](=O)c1cc(Br)c(cc1NCCC)F |
| Synonyms | 4-BROMO-5-FLUORO-2-NITRO-N-PROPYLANILINE,
1261927-35-8,
ACMC-209b5e,
CTK4B5024,
DTXSID10681501,
ANW-18720,
MFCD18311824,
ZINC65336884,
AKOS015157190,
CJ-21002,
AJ-114920,
AX8229529,
TC-107465,
ST24023376,
Z9155,
B-2357,
Benzenamine, 4-bromo-5-fluoro-2-nitro-N-propyl-,
I14-24796,
C9H10BrFN2O2,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.093g/mol |
| Monoisotopic Mass | 275.991g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number