CAS
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1-Ethynyl-4-fluorobenzene
CAS
766-98-3
Catalog Number
ACM766983
Category
Alkynyl
Molecular Weight
120.126g/mol
Molecular Formula
C8H5F;
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Specification
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;
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
What is the molecular formula of 1-Ethynyl-4-fluorobenzene?
The molecular formula of 1-Ethynyl-4-fluorobenzene is C8H5F.
What is the molecular weight of 1-Ethynyl-4-fluorobenzene?
The molecular weight of 1-Ethynyl-4-fluorobenzene is 120.12 g/mol.
What are some synonyms for 1-Ethynyl-4-fluorobenzene?
Some synonyms for 1-Ethynyl-4-fluorobenzene include 4-Fluorophenylacetylene and Benzene, 1-ethynyl-4-fluoro-.
When was 1-Ethynyl-4-fluorobenzene first created and last modified?
1-Ethynyl-4-fluorobenzene was first created on 2005-03-27 and last modified on 2023-11-25.
What is the InChIKey of 1-Ethynyl-4-fluorobenzene?
The InChIKey of 1-Ethynyl-4-fluorobenzene is QXSWHQGIEKUBAS-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1-Ethynyl-4-fluorobenzene have?
1-Ethynyl-4-fluorobenzene has 0 hydrogen bond donor counts.
What is the topological polar surface area of 1-Ethynyl-4-fluorobenzene?
The topological polar surface area of 1-Ethynyl-4-fluorobenzene is 0Ų.
How many rotatable bond counts does 1-Ethynyl-4-fluorobenzene have?
1-Ethynyl-4-fluorobenzene has 1 rotatable bond count.
Is 1-Ethynyl-4-fluorobenzene considered to be a canonicalized compound?
Yes, 1-Ethynyl-4-fluorobenzene is considered a canonicalized compound.
What is the XLogP3-AA value of 1-Ethynyl-4-fluorobenzene?
The XLogP3-AA value of 1-Ethynyl-4-fluorobenzene is 2.3.
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