Basic information
- CAS
122018-93-3- Standard SMILES
O=c1cc(C(F)(F)F)c2ccc(OP(=O)(O)O)cc2o1- InChIKey
ZXSQZYGFCBGKMY-UHFFFAOYSA-N- Molecular formula
- C10H6F3O6P
- Average molar mass
- 310.12 g/mol
- Monoisotopic mass
- 309.98540939
Names & identifiers
- Preferred name
- 4-Trifluoromethylcoumarin phosphate
- IUPAC
- [2-oxo-4-(trifluoromethyl)chromen-7-yl] dihydrogen phosphate
- English name
- 4-trifluoromethylcoumarin phosphate
- Molecular weight
- 0
Names & synonyms
4-Trifluoromethylcoumarin phosphateHFCP122018-93-3RefChem:100562SCHEMBL1460873CHEMBL4577308BDBM22598DTXSID00924055ZXSQZYGFCBGKMY-UHFFFAOYSA-N{[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]oxy}phosphonic acid2H-1-Benzopyran-2-one, 7-(phosphonooxy)-4-(trifluoromethyl)-7-(Phosphonooxy)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Show more names
2-Oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl dihydrogen phosphate
Database identifiers
- CAS
122018-93-3- PubChem CID
- 129573
- DTXSID
DTXSID00924055- ChEMBL
CHEMBL4577308- Nikkaji
- J1.718.027D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 482
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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