| CAS Number | 1072906-04-7 |
| Catalog Number | AG00998F |
| Chemical Name | EthanaMine, 2-(5-broMo-2-nitrophenoxy)-N,N-diMethyl- |
| IUPAC Name | 2-(5-bromo-2-nitrophenoxy)-N,N-dimethylethanamine |
| InChI | InChI=1S/C10H13BrN2O3/c1-12(2)5-6-16-10-7-8(11)3-4-9(10)13(14)15/h3-4,7H,5-6H2,1-2H3 |
| InChI Key | XWCSSNYVABLNLP-UHFFFAOYSA-N |
| MDL Number | MFCD11520820 |
| Molecular Formula | C10H13BrN2O3 |
| Molecular Weight | 289.1258 |
| SMILES | CN(CCOc1cc(Br)ccc1[N+](=O)[O-])C |
| Synonyms | 1072906-04-7,
2-(5-bromo-2-nitrophenoxy)-N,N-dimethylethanamine,
Ethanamine,2-(5-bromo-2-nitrophenoxy)-N,N-dimethyl-,
SCHEMBL1987035,
XWCSSNYVABLNLP-UHFFFAOYSA-N,
MFCD11520820,
ZINC95938208,
EthanaMine, 2-(5-broMo-2-nitrophenoxy)-N,N-diMethyl-,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.129g/mol |
| Monoisotopic Mass | 288.011g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number