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Home Other Building Blocks 1-Ethynyl-4-fluorobenzene

1-Ethynyl-4-fluorobenzene

CAS No.:
766-98-3
Catalog Number:
AG00341K
Molecular Formula:
C8H5F
Molecular Weight:
120.1237
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$24
- +
5g
98%
In Stock USA
United States
$74
- +
25g
98%
In Stock USA
United States
$224
- +
100g
98%
In Stock USA
United States
$674
- +
Product Description
Catalog Number:
AG00341K
Chemical Name:
1-Ethynyl-4-fluorobenzene
CAS Number:
766-98-3
Molecular Formula:
C8H5F
Molecular Weight:
120.1237
MDL Number:
MFCD00168823
IUPAC Name:
1-ethynyl-4-fluorobenzene
InChI:
InChI=1S/C8H5F/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChI Key:
QXSWHQGIEKUBAS-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)F
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.038g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.126g/mol
Monoisotopic Mass:
120.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Interaction of alcohols with 2-fluoro- and 4-fluorophenylacetylenes: infrared-optical double resonance spectroscopic and computational investigation. The journal of physical chemistry. A 20111020
Hydrogen bonding to multifunctional molecules: spectroscopic and ab initio investigation of water complexes of fluorophenylacetylenes. The journal of physical chemistry. A 20090305
Design and synthesis of beta-methoxyacrylate analogues via click chemistry and biological evaluations. Bioorganic & medicinal chemistry letters 20070401
Properties