| CAS Number | 83660-64-4 |
| Catalog Number | AG008IMB(AGN-PC-0KKSED) |
| Chemical Name | 3-Bromo-4-(4-fluorophenoxy)aniline |
| IUPAC Name | 3-bromo-4-(4-fluorophenoxy)aniline |
| InChI | InChI=1S/C12H9BrFNO/c13-11-7-9(15)3-6-12(11)16-10-4-1-8(14)2-5-10/h1-7H,15H2 |
| InChI Key | FSTQDWCIBNUNGP-UHFFFAOYSA-N |
| MDL Number | MFCD02082950 |
| Molecular Formula | C12H9BrFNO |
| Molecular Weight | 282.1084 |
| SMILES | NC1=CC(Br)=C(OC2=CC=C(F)C=C2)C=C1 |
| Synonyms | 3-bromo-4-(4-fluorophenoxy)aniline,
83660-64-4,
Benzenamine, 3-bromo-4-(4-fluorophenoxy)-,
AC1MCEQX,
SCHEMBL1471874,
CTK3D1509,
DTXSID00377628,
ZINC2576522,
AKOS005078912,
KS-00001S67,
11P-242,
Z1992316388,
ZINC02576522,
CID2767854,
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| Complexity | 221 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number