| CAS Number | 1803600-02-3 |
| Catalog Number | AG01AFEJ |
| Chemical Name | 3-bromo-4-ethoxyaniline hydrochloride |
| IUPAC Name | 3-bromo-4-ethoxyaniline;hydrochloride |
| InChI | InChI=1S/C8H10BrNO.ClH/c1-2-11-8-4-3-6(10)5-7(8)9;/h3-5H,2,10H2,1H3;1H |
| InChI Key | GLXZOPVLHBHQKC-UHFFFAOYSA-N |
| MDL Number | MFCD27500830 |
| Molecular Formula | C8H11BrClNO |
| Molecular Weight | 252.5360 |
| SMILES | Cl.CCOC1=C(Br)C=C(N)C=C1 |
| Synonyms | 3-bromo-4-ethoxyaniline hydrochloride,
1803600-02-3,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.536g/mol |
| Monoisotopic Mass | 250.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number