Basic information
- CAS
874584-18-6- Standard SMILES
CC1(C)CCCc2cc3c(cc21)C(=O)C=C(Cl)C3=O- InChIKey
MDVKOBITBFHNEQ-UHFFFAOYSA-N- Molecular formula
- C16H15ClO2
- Average molar mass
- 274.74 g/mol
- Monoisotopic mass
- 274.0760574
Names & identifiers
- Preferred name
- 1,4-Anthracenedione, 2-chloro-5,6,7,8-tetrahydro-5,5-dimethyl-
- IUPAC
- 3-chloro-8,8-dimethyl-6,7-dihydro-5H-anthracene-1,4-dione
Names & synonyms
1,4-Anthracenedione, 2-chloro-5,6,7,8-tetrahydro-5,5-dimethyl-874584-18-6CHEMBL2419174DTXSID904692883-chloro-8,8-dimethyl-6,7-dihydro-5H-anthracene-1,4-dione2-Chloro-5,5-dimethyl-5,6,7,8-tetrahydroanthracene-1,4-dione
Database identifiers
- CAS
874584-18-6- PubChem CID
- 11601519
- DTXSID
DTXSID90469288- ChEMBL
CHEMBL2419174- Nikkaji
- J2.267.959G
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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