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Home > Nitro Compounds > 75514-99-7
75514-99-7 | copper; 4-(4-nitrophenyl)iminopentan-2-one
CAS No: 75514-99-7 Catalog No: AG005K5Y MDL No:
Product Description
Catalog Number:
AG005K5Y
Chemical Name:
copper; 4-(4-nitrophenyl)iminopentan-2-one
CAS Number:
75514-99-7
Molecular Formula:
C11H12CuN2O3
Molecular Weight:
283.7706
IUPAC Name:
copper;4-(4-nitrophenyl)iminopentan-2-one
InChI:
InChI=1S/2C11H12N2O3.Cu/c2*1-8(7-9(2)14)12-10-3-5-11(6-4-10)13(15)16;/h2*3-6H,7H2,1-2H3;
InChI Key:
ROUJUZFBZJEJQJ-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=Nc1ccc(cc1)[N+](=O)[O-])C.[Cu]
NSC Number:
162787
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.099g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.002g/mol
Monoisotopic Mass:
503.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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