4-Bromo-2-chloro-3-(hydroxymethyl)phenol
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Basic information
- CAS
1255206-92-8- Standard SMILES
OCc1c(Br)ccc(O)c1Cl- InChIKey
PLUPZQOUZUDMMM-UHFFFAOYSA-N- Molecular formula
- C7H6BrClO2
- Average molar mass
- 237.48 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-2-chloro-3-(hydroxymethyl)phenol
- IUPAC
- 4-bromo-2-chloro-3-(hydroxymethyl)phenol
- English name
- 4-bromo-2-chloro-3-(hydroxymethyl)phenol
- Molecular formula
- C7H6BrClO2
- Molecular weight
- 237.48
Names & synonyms
4-bromo-2-chloro-3-(hydroxymethyl)phenol1255206-92-8MFCD26401758starbld0037690SCHEMBL286423PLUPZQOUZUDMMM-UHFFFAOYSA-NDA-13520SY274327E86737Benzenemethanol, 6-bromo-2-chloro-3-hydroxy-
Database identifiers
- CAS
1255206-92-8
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 340.3 · 340.3±37.0 °C(Predicted)
- Density
- 1.829 · 1.829±0.06 g/cm3(Predicted)
- pka
- 7.72 · 7.72±0.23(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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