| CAS Number | 81090-45-1 |
| Catalog Number | AG005013(AGN-PC-00LJ3L) |
| Chemical Name | Benzenamine, 2,4-dibromo-6-(1-methylethyl)- |
| IUPAC Name | 2,4-dibromo-6-propan-2-ylaniline |
| InChI | InChI=1S/C9H11Br2N/c1-5(2)7-3-6(10)4-8(11)9(7)12/h3-5H,12H2,1-2H3 |
| InChI Key | OKIHDLUSXGDARZ-UHFFFAOYSA-N |
| MDL Number | MFCD11845854 |
| Molecular Formula | C9H11Br2N |
| Molecular Weight | 292.9983 |
| SMILES | Brc1cc(Br)c(c(c1)C(C)C)N |
| Synonyms | 2,4-Dibromo-6-isopropylaniline,
81090-45-1,
Benzenamine, 2,4-dibromo-6-(1-methylethyl)-,
SCHEMBL17262069,
CTK3E4822,
DTXSID10529196,
ZINC36532704,
AKOS026672254,
2,4-Dibromo-6-(propan-2-yl)aniline,
2,4-Dibromo-6-(1-methylethyl)-benzenamine,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.002g/mol |
| Monoisotopic Mass | 290.926g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number