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Home > Nitro Compounds > 89836-80-6
89836-80-6 | Copper, [(nitrophenyl)ethynyl]-
CAS No: 89836-80-6 Catalog No: AG003XP0 MDL No:
Product Description
Catalog Number:
AG003XP0
Chemical Name:
Copper, [(nitrophenyl)ethynyl]-
CAS Number:
89836-80-6
Molecular Formula:
C8H4CuNO2
Molecular Weight:
209.6689
IUPAC Name:
copper(1+);1-ethynyl-2-nitrobenzene
InChI:
InChI=1S/C8H4NO2.Cu/c1-2-7-5-3-4-6-8(7)9(10)11;/h3-6H;/q-1;+1
InChI Key:
DQELIWAZMPUKEW-UHFFFAOYSA-N
SMILES:
[Cu]C#Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.671g/mol
Monoisotopic Mass:
208.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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