| CAS Number | 57018-10-7 |
| Catalog Number | AG01B8Z5(AGN-PC-00MBVR) |
| Chemical Name | 2-Bromo-6-chloro-4-methylphenol |
| IUPAC Name | 2-bromo-6-chloro-4-methylphenol |
| InChI | InChI=1S/C7H6BrClO/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3 |
| InChI Key | UACGFKDZXGCYIQ-UHFFFAOYSA-N |
| MDL Number | MFCD22414716 |
| Molecular Formula | C7H6BrClO |
| Molecular Weight | 221.4789 |
| SMILES | CC1=CC(Br)=C(O)C(Cl)=C1 |
| Synonyms | 2-Bromo-6-chloro-4-methylphenol,
57018-10-7,
SCHEMBL10922054,
CTK1F3205,
DTXSID80538159,
ZINC39617904,
Phenol, 2-bromo-6-chloro-4-methyl-,
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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 | 219.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.478g/mol |
| Monoisotopic Mass | 219.929g/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
Lot Number