Basic information
- CAS
911825-99-5- Standard SMILES
O=C1COCc2c(F)cccc21- InChIKey
FFRMLHFEPDCFRF-UHFFFAOYSA-N- Molecular formula
- C9H7FO2
- Average molar mass
- 166.15 g/mol
- Monoisotopic mass
- 166.04300768
Names & identifiers
- Preferred name
- 8-Fluoroisochroman-4-one
- IUPAC
- 8-fluoro-1H-isochromen-4-one
- English name
- 8-fluoroisochroman-4-one
- Molecular formula
- C9H7FO2
- Molecular weight
- 166.15
Names & synonyms
8-Fluoroisochroman-4-one911825-99-58-FLUORO-4-ISOCHROMANONE8-fluoro-1H-isochromen-4-one8-fluoro-3,4-dihydro-1H-2-benzopyran-4-oneSCHEMBL1265831DTXSID20698423FFRMLHFEPDCFRF-UHFFFAOYSA-N8-Fluoro-1H-isochromen-4(3H)-one8-Fluoro-1H-2-benzopyran-4(3H)-oneDB-333843CS-0311323
Show more names
1H-2-Benzopyran-4(3H)-one, 8-fluoro-
Database identifiers
- CAS
911825-99-5- PubChem CID
- 53423985
- DTXSID
DTXSID20698423
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 290 · 290.0±40.0 °C(Predicted)
- Density
- 1.297 · 1.297±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
北京珐默兹医药科技有限公司15811073878 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
5 records
Compound notes
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