| CAS Number | 1250486-42-0 |
| Catalog Number | AG01B82C |
| Chemical Name | 3-bromo-4-(3-fluorophenoxy)aniline |
| IUPAC Name | 3-bromo-4-(3-fluorophenoxy)aniline |
| InChI | InChI=1S/C12H9BrFNO/c13-11-7-9(15)4-5-12(11)16-10-3-1-2-8(14)6-10/h1-7H,15H2 |
| InChI Key | FBFGGBXVGHNBEL-UHFFFAOYSA-N |
| MDL Number | MFCD16085560 |
| Molecular Formula | C12H9BrFNO |
| Molecular Weight | 282.1084 |
| SMILES | NC1=CC(Br)=C(OC2=CC(F)=CC=C2)C=C1 |
| Synonyms | 3-bromo-4-(3-fluorophenoxy)aniline,
1250486-42-0,
ZINC43597598,
AKOS010987813,
Z1993522719,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.112g/mol |
| Monoisotopic Mass | 280.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number