| CAS Number | 945006-23-5 |
| Catalog Number | AG01AGPT |
| Chemical Name | 4-(2-Bromophenoxy)-3-chloroaniline |
| IUPAC Name | 4-(2-bromophenoxy)-3-chloroaniline |
| InChI | InChI=1S/C12H9BrClNO/c13-9-3-1-2-4-11(9)16-12-6-5-8(15)7-10(12)14/h1-7H,15H2 |
| InChI Key | KGUWRWNTYKRTSG-UHFFFAOYSA-N |
| MDL Number | MFCD11133254 |
| Molecular Formula | C12H9BrClNO |
| Molecular Weight | 298.5630 |
| SMILES | c1(c(ccc(c1)N)Oc1c(cccc1)Br)Cl |
| Synonyms | 4-(2-bromophenoxy)-3-chloroaniline,
945006-23-5,
AC1Q51ML,
ZINC19845908,
AKOS000213606,
MCULE-1910001982,
NE19252,
EN300-72528,
|
| 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