Basic information
- CAS
1044277-06-6- Standard SMILES
Cc1ccc2c(-c3cccc(F)c3)cc(=O)oc2c1- InChIKey
WYRSRBUJZGHUEP-UHFFFAOYSA-N- Molecular formula
- C16H11FO2
- Average molar mass
- 254.25 g/mol
- Monoisotopic mass
- 254.07430775
Names & identifiers
- Preferred name
- 4-(3-fluorophenyl)-7-methyl-2H-chromen-2-one
- IUPAC
- 4-(3-fluorophenyl)-7-methylchromen-2-one
- English name
- 4-(3-fluorophenyl)-7-methyl-2H-chromen-2-one
- Molecular formula
- C16H11FO2
- Molecular weight
- 254.26
Names & synonyms
4-(3-fluorophenyl)-7-methyl-2H-chromen-2-one1044277-06-6SCHEMBL759601DTXSID10719277WYRSRBUJZGHUEP-UHFFFAOYSA-NDB-0121114-(3-Fluorophenyl)-7-methyl-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 4-(3-fluorophenyl)-7-methyl-
Database identifiers
- CAS
1044277-06-6- PubChem CID
- 56971674
- DTXSID
DTXSID10719277
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 409.6 · 409.6±45.0 °C(Predicted)
- Density
- 1.272 · 1.272
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
3 records
Compound notes
Loading…