| CAS Number | 946700-34-1 |
| Catalog Number | AG01EB3V(AGN-PC-0WBVZO) |
| Chemical Name | 5-BROMO-2-[4-(TERT-BUTYL)PHENOXY]ANILINE |
| IUPAC Name | 5-bromo-2-(4-tert-butylphenoxy)aniline |
| InChI | InChI=1S/C16H18BrNO/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)18/h4-10H,18H2,1-3H3 |
| InChI Key | YIOGUXOWOUMLHU-UHFFFAOYSA-N |
| MDL Number | MFCD08686960 |
| Molecular Formula | C16H18BrNO |
| Molecular Weight | 320.2242 |
| SMILES | BrC=1C=CC(=C(N)C1)OC1=CC=C(C=C1)C(C)(C)C |
| Synonyms | 5-BROMO-2-[4-(TERT-BUTYL)PHENOXY]ANILINE,
946700-34-1,
5-Bromo-2-(4-(tert-butyl)phenoxy)aniline,
CTK5I6888,
ZINC14631020,
AKOS009173825,
5-bromo-2-(4-tert-butylphenoxy)aniline,
TR-047088,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.23g/mol |
| Monoisotopic Mass | 319.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
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Certificate of Analysis
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