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Home Nitros 1-Ethynyl-2-nitrobenzene

1-Ethynyl-2-nitrobenzene

CAS No.:
16433-96-8
Catalog Number:
AG001UT3
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$125
- +
1g
95%
In Stock USA
United States
$313
- +
5g
95%
In Stock USA
United States
$1038
- +
10g
95%
In Stock USA
United States
$1863
- +
Product Description
Catalog Number:
AG001UT3
Chemical Name:
1-Ethynyl-2-nitrobenzene
CAS Number:
16433-96-8
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD01113917
IUPAC Name:
1-ethynyl-2-nitrobenzene
InChI:
InChI=1S/C8H5NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h1,3-6H
InChI Key:
FWAGYANFBMIHFQ-UHFFFAOYSA-N
SMILES:
C#Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Diels-Alder approach to biaryls (DAB): importance of the ortho-nitro moiety in the [4 + 2] cycloaddition. Organic & biomolecular chemistry 20080121
Efficient nucleophilic aromatic substitution between aryl nitrofluorides and alkynes. Organic letters 20070705
Synthesis, photophysics, and optical limiting of platinum(II) 4'-tolylterpyridyl arylacetylide complexes. Inorganic chemistry 20050530
Enantioselective total synthesis of FR900482. The Journal of organic chemistry 20040416
Properties