1-Ethynyl-4-fluorobenzene

• Catalog Number: ACM766983
• Product Name: 1-Ethynyl-4-fluorobenzene
• CAS: 766-98-3
• Category: Alkynyl
• Synonyms: EBD8668; AKOS008901264; CTK3J1489; 4-Fluoro phenylacetylene; 4-Fluorophenylacetylene; CHEMBL233810; ACMC-209p5m; RP09256; I01-5058; 1-Ethinyl-4-fluorobenzene
• IUPAC Name: 1-ethynyl-4-fluorobenzene
• Molecular Weight: 120.126g/mol
• Molecular Formula: C8H5F
• Canonical SMILES: C#CC1=CC=C(C=C1)F
• InChI: InChI=1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
• InChI Key: QXSWHQGIEKUBAS-UHFFFAOYSA-N
• Application: Intermediates of Liquid Crystals
• Storage: 2-8°C
• Complexity: 123
• Covalently-Bonded Unit Count: 1
• Exact Mass: 120.038g/mol
• H-Bond Acceptor: 1
• Heavy Atom Count: 9
• Monoisotopic Mass: 120.038g/mol
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of 1-Ethynyl-4-fluorobenzene?

The molecular formula is C8H5F.

What is the molecular weight of 1-Ethynyl-4-fluorobenzene?

The molecular weight is 120.12 g/mol.

What is the IUPAC name of 1-Ethynyl-4-fluorobenzene?

The IUPAC name is 1-ethynyl-4-fluorobenzene.

What is the InChI of 1-Ethynyl-4-fluorobenzene?

The InChI is InChI=1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H.

What is the InChIKey of 1-Ethynyl-4-fluorobenzene?

The InChIKey is QXSWHQGIEKUBAS-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Ethynyl-4-fluorobenzene?

The canonical SMILES is C#CC1=CC=C(C=C1)F.

What is the CAS number of 1-Ethynyl-4-fluorobenzene?

The CAS number is 766-98-3.

What is the ChEMBL ID of 1-Ethynyl-4-fluorobenzene?

The ChEMBL ID is CHEMBL233810.

What is the hydrogen bond donor count of 1-Ethynyl-4-fluorobenzene?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of 1-Ethynyl-4-fluorobenzene?

The hydrogen bond acceptor count is 1.