| CAS Number | 1094359-78-0 |
| Catalog Number | AG019WO1 |
| Chemical Name | 2-bromo-4,5-diethoxyaniline |
| IUPAC Name | 2-bromo-4,5-diethoxyaniline |
| InChI | InChI=1S/C10H14BrNO2/c1-3-13-9-5-7(11)8(12)6-10(9)14-4-2/h5-6H,3-4,12H2,1-2H3 |
| InChI Key | WPDSDLICUNOIPK-UHFFFAOYSA-N |
| MDL Number | MFCD11206297 |
| Molecular Formula | C10H14BrNO2 |
| Molecular Weight | 260.1277 |
| SMILES | CCOC1=C(OCC)C=C(Br)C(N)=C1 |
| Synonyms | 2-bromo-4,5-diethoxyaniline,
1094359-78-0,
AC1Q35X2,
CTK6G0469,
ZINC36379885,
AKOS008126046,
MCULE-5429558825,
NE15120,
NCGC00340873-01,
EN300-52570,
AB01333658-02,
J-010411,
Z763367872,
16791-41-6,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.131g/mol |
| Monoisotopic Mass | 259.021g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number