| CAS Number | 112135-31-6 |
| Catalog Number | AG01DLXR(AGN-PC-0LFI92) |
| Chemical Name | 2-Bromo-4-Chloro-5-Methylphenol |
| IUPAC Name | 2-bromo-4-chloro-5-methylphenol |
| InChI | InChI=1S/C7H6BrClO/c1-4-2-7(10)5(8)3-6(4)9/h2-3,10H,1H3 |
| InChI Key | GRQPDQPXSXQGBX-UHFFFAOYSA-N |
| MDL Number | MFCD00029749 |
| Molecular Formula | C7H6BrClO |
| Molecular Weight | 221.4789 |
| SMILES | BrC1=C(C=C(C(=C1)Cl)C)O |
| Synonyms | 2-bromo-4-chloro-5-methylphenol,
112135-31-6,
AC1NFUVZ,
SCHEMBL4976763,
2-bromo-4-chloro-5-methyl-phenol,
CID4689657,
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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 | 3.2 |
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Certificate of Analysis
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