Basic information
- CAS
1160994-37-5- Standard SMILES
O=[N+]([O-])c1ccc(COc2ccccc2)c(F)c1- InChIKey
GDXYMPLENYCKKC-UHFFFAOYSA-N- Molecular formula
- C13H10FNO3
- Average molar mass
- 247.22 g/mol
- Monoisotopic mass
- 247.06447134
Names & identifiers
- Preferred name
- 2-Fluoro-4-nitro-1-(phenoxymethyl)benzene
- IUPAC
- 2-fluoro-4-nitro-1-(phenoxymethyl)benzene
- English name
- Benzene, 2-fluoro-4-nitro-1-(phenoxymethyl)-
- Molecular formula
- C13H10FNO3
- Molecular weight
- 247.22
Names & synonyms
2-fluoro-4-nitro-1-(phenoxymethyl)benzene1160994-37-52-Fluoro-4-nitro-1-phenoxymethyl-benzeneSCHEMBL1401653MFCD12400731Benzene, 2-fluoro-4-nitro-1-(phenoxymethyl)-
Database identifiers
- CAS
1160994-37-5- PubChem CID
- 53833241
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 381.7 · 381.7±27.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
宁波振岳医药科技有限公司19817745290 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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