Basic information
- CAS
56759-56-9- Standard SMILES
Cc1c(Br)c(O)c(O)c(Br)c1Br- InChIKey
KMNDTYWRUVCTHV-UHFFFAOYSA-N- Molecular formula
- C7H5Br3O2
- Average molar mass
- 360.82 g/mol
- Monoisotopic mass
- 357.78397
Names & identifiers
- Preferred name
- 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol
- IUPAC
- 3,4,6-tribromo-5-methylbenzene-1,2-diol
Names & synonyms
3,4,6-tribromo-5-methylbenzene-1,2-diolRefChem:106569756759-56-9Pyrocatechol, 4-methyl-3,5,6-tribromo-CHEMBL2284786-Hydroxy-2,4,5-tribromo-m-cresol4-Methyl-3,5,6-tribromopyrocatecholBRN 2263389m-Cresol, 6-hydroxy-2,4,5-tribromo-3-06-00-04522 (Beilstein Handbook Reference)starbld0020335orb1985381
Show more names
SCHEMBL11686241DTXSID20205313BDBM50478863AKOS040753663T34205
Database identifiers
- CAS
56759-56-9- PubChem CID
- 92525
- DTXSID
DTXSID20205313- ChEMBL
CHEMBL228478- Nikkaji
- J87.062E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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