Basic information
- CAS
5839-39-4- Standard SMILES
O=C1c2ccccc2C(=CC=C2c3ccccc3C(=O)c3cc(Cl)ccc32)c2ccc(Cl)cc21- InChIKey
KWZGLPQTVVGILR-UHFFFAOYSA-N- Molecular formula
- C30H16Cl2O2
- Average molar mass
- 479.3 g/mol
- Monoisotopic mass
- 478.0527351
Names & identifiers
- Preferred name
- 2-Chloro-10-[2-(3-chloro-10-oxoanthracen-9-ylidene)ethylidene]anthracen-9-one
- IUPAC
- 2-chloro-10-[2-(3-chloro-10-oxoanthracen-9-ylidene)ethylidene]anthracen-9-one
Names & synonyms
5839-39-410,10'-(1,2-ETHANEDIYLIDENE)BIS[2-CHLOROANTHRACEN-9(10H)-ONE]DTXSID901179057NS0004635010,10'-(Ethane-1,2-diylidene)bis(2-chloroanthracen-9(10H)-one)9(10H)-Anthracenone, 10,10a(2)-(1,2-ethanediylidene)bis[2-chloro-
Database identifiers
- CAS
5839-39-4- PubChem CID
- 111101
- DTXSID
DTXSID901179057- EC Number
- 227-426-1
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 818
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…