Basic information
- CAS
380437-34-3- Standard SMILES
O=C(O)c1c2c(nc3ccccc13)C(=Cc1ccc(F)cc1)CCC2- InChIKey
DFJBOLNIHJRSHP-UHFFFAOYSA-N- Molecular formula
- C21H16FNO2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.11650692
Names & identifiers
- Preferred name
- 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
- IUPAC
- 4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Names & synonyms
380437-34-3FQA43734AKOS0343800344-[(4-fluorophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Database identifiers
- CAS
380437-34-3- PubChem CID
- 3696637
- EC Number
- 173-412-2
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 526
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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