| CAS Number | 67853-38-7 |
| Catalog Number | AG00FLPJ(AGN-PC-0WAZ42) |
| Chemical Name | 2-Bromo-3-methoxyaniline hydrochloride |
| IUPAC Name | 2-bromo-3-methoxyaniline;hydrochloride |
| InChI | InChI=1S/C7H8BrNO.ClH/c1-10-6-4-2-3-5(9)7(6)8;/h2-4H,9H2,1H3;1H |
| InChI Key | XTJMMIUMGYNXGI-UHFFFAOYSA-N |
| MDL Number | MFCD09907862 |
| Molecular Formula | C7H9BrClNO |
| Molecular Weight | 238.5095 |
| SMILES | Cl.COC1=C(Br)C(N)=CC=C1 |
| Synonyms | 2-Bromo-3-methoxyaniline hydrochloride,
67853-38-7,
AKOS027420692,
NE43354,
KS-0000245F,
CS-4079,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.509g/mol |
| Monoisotopic Mass | 236.956g/mol |
| Rotatable Bond Count | 1 |
| 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