Basic information
- CAS
41222-60-0- Standard SMILES
COc1ccc(C(=O)Cl)cc1OCc1ccccc1- InChIKey
IXCKJOOGPMRIDP-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Names & identifiers
- Preferred name
- 3-Benzyloxy-4-methoxybenzoyl chloride
- IUPAC
- 4-methoxy-3-phenylmethoxybenzoyl chloride
- English name
- Benzoyl chloride, 4-methoxy-3-(phenylmethoxy)-
- Molecular formula
- C15H13ClO3
- Molecular weight
- 276.71
Names & synonyms
3-benzyloxy-4-methoxybenzoyl chloride41222-60-0DTXSID90450191RefChem:277067DTXCID804010113-(benzyloxy)-4-methoxybenzoyl chloride4-methoxy-3-phenylmethoxybenzoyl chlorideBenzoyl chloride, 4-methoxy-3-(phenylmethoxy)-SCHEMBL184987IXCKJOOGPMRIDP-UHFFFAOYSA-N3-benzyloxy4-methoxy-benzoyl chlorideAKOS025131056
Show more names
4-Methoxy-3-(phenylmethoxy)benzoyl chloride3-(BENZYLOXY)-4-METHOXYBENZOYL CHLORIDE(WXG00997)
3-benzyloxy-4-methoxy-benzoyl chloride3-benzyloxy-4-methoxy benzoic acid chlorideDB-314646
Database identifiers
- CAS
41222-60-0- PubChem CID
- 10967795
- DTXSID
DTXSID90450191- Nikkaji
- J2.577.642I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 412.6 · 412.6±30.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
24 records
Compound notes
Loading…