1,3,8-Trichlorophenanthridin-6(5h)-one
Basic information
- CAS
27353-59-9- Standard SMILES
O=c1[nH]c2cc(Cl)cc(Cl)c2c2ccc(Cl)cc12- InChIKey
LUUVCQVSSQXFKV-UHFFFAOYSA-N- Molecular formula
- C13H6Cl3NO
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 296.951497
Names & identifiers
- Preferred name
- 1,3,8-Trichlorophenanthridin-6(5h)-one
- IUPAC
- 1,3,8-trichloro-5H-phenanthridin-6-one
Names & synonyms
27353-59-91,3,8-trichlorophenanthridin-6(5h)-oneNSC1133296(5H)-Phenanthridinone,1,3,8-trichloro-DTXSID30297042NSC-113329DS-005801
Database identifiers
- CAS
27353-59-9- PubChem CID
- 270697
- DTXSID
DTXSID30297042
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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