Basic information
- Standard SMILES
Oc1cc(O)cc(CBr)c1- InChIKey
BWXAUWJMUAOSLG-UHFFFAOYSA-N- Molecular formula
- C7H7BrO2
- Average molar mass
- 203.03 g/mol
- Monoisotopic mass
- 201.96294156
Names & identifiers
- Preferred name
- 5-(Bromomethyl)benzene-1,3-diol
- IUPAC
- 5-(bromomethyl)benzene-1,3-diol
Names & synonyms
5-(bromomethyl)benzene-1,3-diol33617-40-2DTXSID00585302RefChem:300287DTXCID105360671,3-Benzenediol, 5-(bromomethyl)-5-(Bromomethyl)-1,3-benzenediolMFCD244589513,5-dihydroxy-benzyl-bromideSCHEMBL1051360BWXAUWJMUAOSLG-UHFFFAOYSA-N5-(bromomethyl)-1,3-dihydroxy-benzene
Show more names
DB-090791G80339
Database identifiers
- CAS
33617-40-2- PubChem CID
- 16220585
- DTXSID
DTXSID00585302- Nikkaji
- J788.516D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.8
Related reactions
2 records
Linked notes
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