Basic information
- CAS
1803727-00-5- Standard SMILES
COc1ccc(CCC#N)c(F)c1- InChIKey
SDJKAWBLMBKEKQ-UHFFFAOYSA-N- Molecular formula
- C10H10FNO
- Average molar mass
- 179.19 g/mol
- Monoisotopic mass
- 179.07464211
Names & identifiers
- Preferred name
- 3-(2-Fluoro-4-methoxyphenyl)propanenitrile
- IUPAC
- 3-(2-fluoro-4-methoxyphenyl)propanenitrile
- English name
- 3-(2-fluoro-4-methoxyphenyl)propanenitrile
- Molecular formula
- C10H10FNO
- Molecular weight
- 179.19
Names & synonyms
3-(2-Fluoro-4-methoxyphenyl)propanenitrile1803727-00-5MFCD28905330AKOS027430088AS-655383-(2-fluoro-4-methoxy-phenyl)propanenitrileW12394EN300-1852875Benzenepropanenitrile, 2-fluoro-4-methoxy-3-(2-fluoro-4-methoxyphenyl)propanenitrile(WXC03704)
Database identifiers
- CAS
1803727-00-5- PubChem CID
- 121229868
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 294.2 · 294.2±25.0 °C(Predicted)
- Density
- 1.117 · 1.117±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
Suppliers3 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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