| CAS Number | 15212-00-7 |
| Catalog Number | AG019TWZ(AGN-PC-0WBVZH) |
| Chemical Name | 5-Bromo-2-(4-chlorophenoxy)aniline |
| IUPAC Name | 5-bromo-2-(4-chlorophenoxy)aniline |
| InChI | InChI=1S/C12H9BrClNO/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7H,15H2 |
| InChI Key | FCICNYOGHRMGIL-UHFFFAOYSA-N |
| MDL Number | MFCD08686968 |
| Molecular Formula | C12H9BrClNO |
| Molecular Weight | 298.5630 |
| SMILES | NC1=C(OC2=CC=C(Cl)C=C2)C=CC(Br)=C1 |
| Synonyms | 5-BROMO-2-(4-CHLOROPHENOXY)ANILINE,
15212-00-7,
CTK6H0726,
ZINC14631007,
AKOS009172861,
MCULE-8796098803,
NE13972,
TR-047081,
Z1333761721,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.564g/mol |
| Monoisotopic Mass | 296.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number