(Chloromethyl)phenol
Basic information
- CAS
30915-79-8- Standard SMILES
Oc1ccc(CCl)cc1.Oc1cccc(CCl)c1.Oc1ccccc1CCl- InChIKey
NCELRBRNHFQRDW-UHFFFAOYSA-N- Molecular formula
- C21H21Cl3O3
- Average molar mass
- 427.7 g/mol
- Monoisotopic mass
- 426.055628
Names & identifiers
- Preferred name
- (Chloromethyl)phenol
- IUPAC
- 2-(chloromethyl)phenol;3-(chloromethyl)phenol;4-(chloromethyl)phenol
Names & synonyms
(CHLOROMETHYL)PHENOL30915-79-8DTXSID20184912RefChem:1050833DTXCID60107403
Database identifiers
- CAS
30915-79-8- PubChem CID
- 35681
- DTXSID
DTXSID20184912
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 247
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Related reactions
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Compound notes
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