5-(3-Chloro-2-fluorobenzyl)-2,4-dimethoxybenzoic acid chloride
Basic information
- CAS
949465-80-9- Standard SMILES
COc1cc(OC)c(C(=O)Cl)cc1Cc1cccc(Cl)c1F- InChIKey
KYILDQFSFGWIJP-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2FO3
- Average molar mass
- 343.2 g/mol
- Monoisotopic mass
- 342.0225778
Names & identifiers
- Preferred name
- 5-(3-Chloro-2-fluorobenzyl)-2,4-dimethoxybenzoic acid chloride
- IUPAC
- 5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxybenzoyl chloride
Names & synonyms
SCHEMBL4207612KYILDQFSFGWIJP-UHFFFAOYSA-NDTXSID301169353949465-80-95-(3-chloro-2-fluorobenzyl)-2,4-dimethoxybenzoic acid chloride5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxybenzoyl chloride
Database identifiers
- CAS
949465-80-9- PubChem CID
- 24809695
- DTXSID
DTXSID301169353
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
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Related reactions
1 records
Compound notes
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