| CAS Number | 57279-73-9 |
| Catalog Number | AG01A0DK(AGN-PC-00PNOD) |
| Chemical Name | 4-Bromo-2-ethoxyaniline |
| IUPAC Name | 4-bromo-2-ethoxyaniline |
| InChI | InChI=1S/C8H10BrNO/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2,10H2,1H3 |
| InChI Key | FRYQWMDMRFFGRO-UHFFFAOYSA-N |
| MDL Number | MFCD12547811 |
| Molecular Formula | C8H10BrNO |
| Molecular Weight | 216.0751 |
| SMILES | BrC1=CC(=C(N)C=C1)OCC |
| Synonyms | 4-Bromo-2-ethoxyaniline,
57279-73-9,
4-bromo-2-ethoxybenzenamine,
4-Bromo-2-ethoxy-aniline,
SCHEMBL3856079,
DTXSID80574057,
FRYQWMDMRFFGRO-UHFFFAOYSA-N,
MFCD12547811,
ZINC40571488,
AKOS014677724,
MCULE-1572603730,
NE15521,
AS-36365,
DA-42052,
BB 0258837,
FT-0744758,
Z1431002647,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.078g/mol |
| Monoisotopic Mass | 214.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number