Basic information
- CAS
303095-19-4- Standard SMILES
COc1ccc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2c1C- InChIKey
CMIJNJYLEFDUKS-UHFFFAOYSA-N- Molecular formula
- C18H15FO4
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.09543712
Names & identifiers
- Preferred name
- 3-(4-Fluorophenoxy)-7-methoxy-2,8-dimethyl-4H-chromen-4-one
- IUPAC
- 3-(4-fluorophenoxy)-7-methoxy-2,8-dimethylchromen-4-one
Names & synonyms
3-(4-fluorophenoxy)-7-methoxy-2,8-dimethyl-4H-chromen-4-one303095-19-4RefChem:493033683-985-5Oprea1_1098613-(4-fluorophenoxy)-7-methoxy-2,8-dimethylchromen-4-oneAKOS003615617CCG-350397SR-01000240043SR-01000240043-1
Database identifiers
- CAS
303095-19-4- PubChem CID
- 853071
- EC Number
- 683-985-5
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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