| CAS Number | 63862-91-9 |
| Catalog Number | AG01B7WW(AGN-PC-00LOEZ) |
| Chemical Name | 2-bromo-3,6-dichlorophenol |
| IUPAC Name | 2-bromo-3,6-dichlorophenol |
| InChI | InChI=1S/C6H3BrCl2O/c7-5-3(8)1-2-4(9)6(5)10/h1-2,10H |
| InChI Key | DBAONWMSNZNTMN-UHFFFAOYSA-N |
| MDL Number | MFCD00152293 |
| Molecular Formula | C6H3BrCl2O |
| Molecular Weight | 241.8974 |
| SMILES | OC1=C(Br)C(Cl)=CC=C1Cl |
| Synonyms | 2-Bromo-3,6-dichlorophenol,
63862-91-9,
2,5-Dichloro-6-bromophenol,
SCHEMBL10723200,
CTK1I5783,
DTXSID30531751,
Phenol, 2-bromo-3,6-dichloro-,
ZINC2521511,
AKOS027351864,
Z1998636537,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.874g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.893g/mol |
| Monoisotopic Mass | 239.874g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number