3-[(4-Chloro-2-methylphenoxy)methyl]azetidine
Basic information
- CAS
954223-39-3- Standard SMILES
Cc1cc(Cl)ccc1OCC1CNC1- InChIKey
BXMRLOMFDMJZNO-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO
- Average molar mass
- 211.69 g/mol
Names & identifiers
- Preferred name
- 3-[(4-Chloro-2-methylphenoxy)methyl]azetidine
- IUPAC
- 3-[(4-chloro-2-methylphenoxy)methyl]azetidine
- English name
- 3-(4-Chloro-2-methyl-phenoxymethyl)-azetidine
- Molecular formula
- C11H14ClNO
- Molecular weight
- 211.68796
Names & synonyms
954223-39-3SCHEMBL2299930SCHEMBL14312071DB-0938803-(4-Chloro-2-methyl-phenoxymethyl)-azetidine
Database identifiers
- CAS
954223-39-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
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Compound notes
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