Basic information
- CAS
39657-47-1- Standard SMILES
COc1cc(C(=O)Cl)cc(OC)c1OC(C)=O- InChIKey
GUYBWIMXUDUWPX-UHFFFAOYSA-N- Molecular formula
- C11H11ClO5
- Average molar mass
- 258.65 g/mol
- Monoisotopic mass
- 258.02950113
Names & identifiers
- Preferred name
- 4-Acetoxy-3,5-dimethoxybenzoyl chloride
- IUPAC
- (4-carbonochloridoyl-2,6-dimethoxyphenyl) acetate
- English name
- 4-acetoxy-3,5-dimethoxybenzoyl chloride
- Molecular formula
- C11H11ClO5
- Molecular weight
- 258.65
Names & synonyms
39657-47-14-Acetoxy-3,5-dimethoxybenzoyl chlorideacetic acid (4-carbonochloridoyl-2,6-dimethoxyphenyl) esterEINECS 254-567-6NSC1148863,5-dimethoxy-4-acetoxybenzoyl chloride4-(chlorocarbonyl)-2,6-dimethoxyphenyl acetateSCHEMBL668245DTXSID50192767NSC 114886NSC-1148864-acetoxy-3,5-dimethoxy-benzoyl chloride
Show more names
Benzoyl chloride, 4-(acetyloxy)-3,5-dimethoxy-4-Acetyloxy-3,5-dimethoxybenzoic acid chloride
NS00030642
Database identifiers
- CAS
39657-47-1- PubChem CID
- 97307
- DTXSID
DTXSID50192767- EC Number
- 254-567-6
- Nikkaji
- J261.416B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
8 records
Compound notes
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