| CAS Number | 1478675-68-1 |
| Catalog Number | AG01B6PZ |
| Chemical Name | 4-Bromo-2-(4-methylphenoxy)aniline |
| IUPAC Name | 4-bromo-2-(4-methylphenoxy)aniline |
| InChI | InChI=1S/C13H12BrNO/c1-9-2-5-11(6-3-9)16-13-8-10(14)4-7-12(13)15/h2-8H,15H2,1H3 |
| InChI Key | BDVSOVIRNMUZTJ-UHFFFAOYSA-N |
| MDL Number | MFCD21220143 |
| Molecular Formula | C13H12BrNO |
| Molecular Weight | 278.1445 |
| SMILES | CC1=CC=C(OC2=C(N)C=CC(Br)=C2)C=C1 |
| Synonyms | 4-bromo-2-(4-methylphenoxy)aniline,
1478675-68-1,
ZINC83732096,
AKOS014677781,
Z2582143661,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.149g/mol |
| Monoisotopic Mass | 277.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number