Basic information
- CAS
1252030-20-8- Standard SMILES
Fc1ccn(Cc2ccccc2)c1- InChIKey
JMTQSOOYXPGUNJ-UHFFFAOYSA-N- Molecular formula
- C11H10FN
- Average molar mass
- 175.2 g/mol
- Monoisotopic mass
- 175.07972749
Names & identifiers
- Preferred name
- 1-benzyl-3-fluoro-1H-pyrrole
- IUPAC
- 1-benzyl-3-fluoropyrrole
- English name
- 1-benzyl-3-fluoro-1H-pyrrole
- Molecular formula
- C11H10FN
- Molecular weight
- 175.2
Names & synonyms
1-benzyl-3-fluoro-1H-pyrrole1252030-20-81H-Pyrrole, 3-fluoro-1-(phenylmethyl)-
Database identifiers
- CAS
1252030-20-8- PubChem CID
- 150705474
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 251.7 · 251.7±15.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- pka
- -5.62 · -5.62±0.70(Predicted)
Chemistry & industry
Suppliers7 total
上海策嵘生物科技有限公司[email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海氟帝新材料科技有限公司021-31009277 13761216778 · [email protected]
湖南秉航新材料有限公司85521272 18932438858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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