| CAS Number | 1820641-98-2 |
| Catalog Number | AG00I0N2(AGN-PC-0WR0P3) |
| Chemical Name | 2-Bromo-4-iodo-6-methylphenol |
| IUPAC Name | 2-bromo-4-iodo-6-methylphenol |
| InChI | InChI=1S/C7H6BrIO/c1-4-2-5(9)3-6(8)7(4)10/h2-3,10H,1H3 |
| InChI Key | XZSFEIYVULYJHA-UHFFFAOYSA-N |
| MDL Number | MFCD27664804 |
| Molecular Formula | C7H6BrIO |
| Molecular Weight | 312.9304 |
| SMILES | Ic1cc(C)c(c(c1)Br)O |
| Synonyms | 2-bromo-4-iodo-6-methylphenol,
1820641-98-2,
MFCD27664804,
ZINC96028522,
FCH2492784,
OR45128,
PS-11861,
AS-813/43501658,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.865g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.932g/mol |
| Monoisotopic Mass | 311.865g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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