4-Chloro-5-(hydroxymethyl)-1,3-benzenediol
Basic information
- CAS
35354-28-0- Standard SMILES
OCc1cc(O)cc(O)c1Cl- InChIKey
APJBOEFQRAMLDU-UHFFFAOYSA-N- Molecular formula
- C7H7ClO3
- Average molar mass
- 174.58 g/mol
- Monoisotopic mass
- 174.0083718
Names & identifiers
- Preferred name
- 4-Chloro-5-(hydroxymethyl)-1,3-benzenediol
- IUPAC
- 4-chloro-5-(hydroxymethyl)benzene-1,3-diol
- English name
- 4-Chloro-5-(hydroxymethyl)-1,3-benzenediol
- Molecular weight
- 0
Names & synonyms
4-Chloro-5-(hydroxymethyl)-1,3-benzenediolDTXSID6034485135354-28-0RefChem:291731DTXCID702959264-chloro-5-(hydroxymethyl)benzene-1,3-diol1,3-Benzenediol, 4-chloro-5-(hydroxymethyl)-SCHEMBL8764920APJBOEFQRAMLDU-UHFFFAOYSA-N4-Chloro-5-(hydroxymethyl)-1,3-benzenediol #
Database identifiers
- CAS
35354-28-0- PubChem CID
- 599951
- DTXSID
DTXSID60344851- Nikkaji
- J127.313B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
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Compound notes
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