| CAS Number | 1820686-18-7 |
| Catalog Number | AG00I0UT(AGN-PC-0WOCF2) |
| Chemical Name | 4-Bromo-N,N-diisopropyl-3-methoxyaniline |
| IUPAC Name | 4-bromo-3-methoxy-N,N-di(propan-2-yl)aniline |
| InChI | InChI=1S/C13H20BrNO/c1-9(2)15(10(3)4)11-6-7-12(14)13(8-11)16-5/h6-10H,1-5H3 |
| InChI Key | AISSPYUMCDROMZ-UHFFFAOYSA-N |
| MDL Number | MFCD27981296 |
| Molecular Formula | C13H20BrNO |
| Molecular Weight | 286.2080 |
| SMILES | COc1cc(ccc1Br)N(C(C)C)C(C)C |
| Synonyms | 4-Bromo-N,N-diisopropyl-3-methoxyaniline,
1820686-18-7,
ZINC97756623,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.07283g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.21g/mol |
| Monoisotopic Mass | 285.07283g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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