2,5-Cyclohexadiene-1,4-dione, 2-chloro-6-methoxy-
Basic information
- CAS
54490-80-1- Standard SMILES
COC1=CC(=O)C=C(Cl)C1=O- InChIKey
CGTKOPHUGPJEPA-UHFFFAOYSA-N- Molecular formula
- C7H5ClO3
- Average molar mass
- 172.56 g/mol
- Monoisotopic mass
- 171.9927217
Names & identifiers
- Preferred name
- 2,5-Cyclohexadiene-1,4-dione, 2-chloro-6-methoxy-
- IUPAC
- 2-chloro-6-methoxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
2-chloro-6-methoxycyclohexa-2,5-diene-1,4-dione54490-80-12,5-Cyclohexadiene-1,4-dione, 2-chloro-6-methoxy-SCHEMBL9364524DTXSID00454589
Database identifiers
- CAS
54490-80-1- PubChem CID
- 11084352
- DTXSID
DTXSID00454589- Nikkaji
- J597.914E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 275
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Compound notes
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