| CAS Number | 1445322-51-9 |
| Catalog Number | AG00HX2Z(AGN-PC-0WA91S) |
| Chemical Name | 4-(2-Bromophenoxy)-3-fluoroaniline HCl |
| IUPAC Name | 4-(2-bromophenoxy)-3-fluoroaniline;hydrochloride |
| InChI | InChI=1S/C12H9BrFNO.ClH/c13-9-3-1-2-4-11(9)16-12-6-5-8(15)7-10(12)14;/h1-7H,15H2;1H |
| InChI Key | JRULAJCWHYLELC-UHFFFAOYSA-N |
| MDL Number | MFCD25121760 |
| Molecular Formula | C12H10BrClFNO |
| Molecular Weight | 318.5693 |
| SMILES | Nc1ccc(c(c1)F)Oc1ccccc1Br.Cl |
| Synonyms | 4-(2-Bromophenoxy)-3-fluoroaniline HCl,
1445322-51-9,
C12H9BrFNO.HCl,
V3329,
4-(2-Bromophenoxy)-3-fluoroaniline hydrochloride,
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| Complexity | 229 |
| 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
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Certificate of Analysis
Lot Number