Basic information
- CAS
23560-69-2- Standard SMILES
O=C1c2ccccc2COc2ccc(Cl)cc21- InChIKey
KIEQOHOJVVIDNO-UHFFFAOYSA-N- Molecular formula
- C14H9ClO2
- Average molar mass
- 244.67 g/mol
- Monoisotopic mass
- 244.0291072
Names & identifiers
- Preferred name
- 2-chlorodibenz[b,e]oxepin-11(6H)-one
- IUPAC
- 2-chloro-6H-benzo[c][1]benzoxepin-11-one
- English name
- 2-chlorodibenz[b,e]oxepin-11(6H)-one
- Molecular formula
- C14H9ClO2
- Molecular weight
- 244.67
Names & synonyms
23560-69-22-Chlorodibenz(b,e)oxepin-11(6H)-oneEINECS 245-738-6C6V2YD6VVM2-Chlorodibenz[b,e]oxepin-11(6H)-oneDibenz(b,e)oxepin-11(6H)-one, 2-chloro-DTXSID60178153RefChem:86472DTXCID90100644245-738-62-Chlorodibenzo[b,e]oxepin-11(6H)-oneUNII-C6V2YD6VVM
Show more names
Dibenz[b,e]oxepin-11(6H)-one, 2-chloro-
SCHEMBL8797952KIEQOHOJVVIDNO-UHFFFAOYSA-NNS00027451
Database identifiers
- CAS
23560-69-2- PubChem CID
- 90163
- DTXSID
DTXSID60178153- UNII
- C6V2YD6VVM
- EC Number
- 245-738-6
- Nikkaji
- J229.000F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 6 V2YD6VVM · C6V2YD6VVM
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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