| CAS Number | 1780208-92-5 |
| Catalog Number | AG01C6B5 |
| Chemical Name | (4-Bromo-5-fluoro-2-methoxyphenyl)methanamine |
| IUPAC Name | (4-bromo-5-fluoro-2-methoxyphenyl)methanamine |
| InChI | InChI=1S/C8H9BrFNO/c1-12-8-3-6(9)7(10)2-5(8)4-11/h2-3H,4,11H2,1H3 |
| InChI Key | HZFIHTZZHLSCCA-UHFFFAOYSA-N |
| MDL Number | MFCD25459684 |
| Molecular Formula | C8H9BrFNO |
| Molecular Weight | 234.0656 |
| SMILES | COC1=C(CN)C=C(F)C(Br)=C1 |
| Synonyms | (4-bromo-5-fluoro-2-methoxyphenyl)methanamine,
1780208-92-5,
AKOS024231184,
ZINC216926206,
F1905-6550,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.068g/mol |
| Monoisotopic Mass | 232.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number