| CAS Number | 1039816-97-1 |
| Catalog Number | AG01C1HE |
| Chemical Name | 2-(3-Bromophenoxy)-5-chloroaniline |
| IUPAC Name | 2-(3-bromophenoxy)-5-chloroaniline |
| InChI | InChI=1S/C12H9BrClNO/c13-8-2-1-3-10(6-8)16-12-5-4-9(14)7-11(12)15/h1-7H,15H2 |
| InChI Key | VOYKJRIXBPRKDN-UHFFFAOYSA-N |
| MDL Number | MFCD11125277 |
| Molecular Formula | C12H9BrClNO |
| Molecular Weight | 298.5630 |
| SMILES | NC1=C(OC2=CC(Br)=CC=C2)C=CC(Cl)=C1 |
| Synonyms | 2-(3-bromophenoxy)-5-chloroaniline,
1039816-97-1,
ZINC21814111,
AKOS009173910,
Z330804432,
|
| Complexity | 229 |
| 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