| CAS Number | 1257535-12-8 |
| Catalog Number | AG00A2R4 |
| Chemical Name | 3-Bromo-4-fluoro-2-methoxyaniline |
| IUPAC Name | 3-bromo-4-fluoro-2-methoxyaniline |
| InChI | InChI=1S/C7H7BrFNO/c1-11-7-5(10)3-2-4(9)6(7)8/h2-3H,10H2,1H3 |
| InChI Key | STJSFBKAABBREW-UHFFFAOYSA-N |
| MDL Number | MFCD18071064 |
| Molecular Formula | C7H7BrFNO |
| Molecular Weight | 220.0390 |
| SMILES | COC1=C(Br)C(F)=CC=C1N |
| Synonyms | 3-Bromo-4-fluoro-2-methoxyaniline,
1257535-12-8,
6-Amino-2-bromo-3-fluoroanisole,
MFCD18071064,
ZINC71790053,
PS-11698,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.041g/mol |
| Monoisotopic Mass | 218.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number