| CAS Number | 1955556-74-7 |
| Catalog Number | AG01C5KH |
| Chemical Name | 4-(3-Bromo-4-fluorophenoxy)aniline hydrochloride |
| IUPAC Name | 4-(3-bromo-4-fluorophenoxy)aniline;hydrochloride |
| InChI | InChI=1S/C12H9BrFNO.ClH/c13-11-7-10(5-6-12(11)14)16-9-3-1-8(15)2-4-9;/h1-7H,15H2;1H |
| InChI Key | XLTBCZRQCCKXQX-UHFFFAOYSA-N |
| MDL Number | MFCD29991406 |
| Molecular Formula | C12H10BrClFNO |
| Molecular Weight | 318.5693 |
| SMILES | Cl.NC1=CC=C(OC2=CC(Br)=C(F)C=C2)C=C1 |
| Synonyms | 4-(3-bromo-4-fluorophenoxy)aniline hydrochloride,
1955556-74-7,
Z2466331743,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.57g/mol |
| Monoisotopic Mass | 316.962g/mol |
| Rotatable Bond Count | 2 |
| 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