| CAS Number | 26820-37-1 |
| Catalog Number | AG003MKN(AGN-PC-04TLQF) |
| Chemical Name | 5-Bromo-2-ethylamino-3-nitropyridine |
| IUPAC Name | 5-bromo-N-ethyl-3-nitropyridin-2-amine |
| InChI | InChI=1S/C7H8BrN3O2/c1-2-9-7-6(11(12)13)3-5(8)4-10-7/h3-4H,2H2,1H3,(H,9,10) |
| InChI Key | XQDUACRLXPWNLD-UHFFFAOYSA-N |
| MDL Number | MFCD08692126 |
| Molecular Formula | C7H8BrN3O2 |
| Molecular Weight | 246.0613 |
| SMILES | O=[N+](C1=CC(Br)=CN=C1NCC)[O-] |
| Synonyms | 26820-37-1,
5-Bromo-N-ethyl-3-nitropyridin-2-amine,
5-Bromo-2-ethylamino-3-nitropyridine,
5-Bromo-2-(ethylamino)-3-nitropyridine,
ACMC-1CNHD,
SCHEMBL18988769,
CTK4F8557,
DTXSID00647934,
ANW-26057,
MFCD08692126,
ZINC16124264,
AKOS010477141,
AJ-68312,
SC-53415,
TR-012086,
ST24023996,
V4805,
I02-3173,
C7H8BrN3O2,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.064g/mol |
| Monoisotopic Mass | 244.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number