Basic information
- CAS
301683-09-0- Standard SMILES
O=c1oc2cc(OCc3ccccc3Cl)c(Cl)cc2c2c1CCC2- InChIKey
KWWSMNOXDNSNKO-UHFFFAOYSA-N- Molecular formula
- C19H14Cl2O3
- Average molar mass
- 361.2 g/mol
- Monoisotopic mass
- 360.0319997
Names & identifiers
- Preferred name
- 8-chloro-7-[(2-chlorobenzyl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
- IUPAC
- 8-chloro-7-[(2-chlorophenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Names & synonyms
301683-09-08-chloro-7-[(2-chlorobenzyl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one8-Chloro-7-[(2-chlorophenyl)methoxy]-2,3-dihydrocyclopenta[c][1]benzopyran-4(1H)-oneOprea1_829142DTXSID101129010AKOS0010360488-chloro-7-[(2-chlorophenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-oneUPCMLD0ENAT0505-4860:001AE-641/11950111Z568042668-Chloro-7-[(2-chlorophenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Database identifiers
- CAS
301683-09-0- PubChem CID
- 978409
- DTXSID
DTXSID101129010- EC Number
- 144-069-6
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 533
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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