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102400-38-4 | Copper, bis[1,1-dicyano-2-imino-2-(1H-pyrazol-1-yl)ethyl]- (9CI)
CAS No: 102400-38-4 Catalog No: AG0007D7 MDL No:
Product Description
Catalog Number:
AG0007D7
Chemical Name:
Copper, bis[1,1-dicyano-2-imino-2-(1H-pyrazol-1-yl)ethyl]- (9CI)
CAS Number:
102400-38-4
Molecular Formula:
C14H8CuN10
Molecular Weight:
379.8263
IUPAC Name:
copper;2-(pyrazole-1-carboximidoyl)propanedinitrile
InChI:
InChI=1S/2C7H4N5.Cu/c2*8-4-6(5-9)7(10)12-3-1-2-11-12;/h2*1-3,10H;/q2*-1;+2
InChI Key:
KTCPLSFJUKZWEM-UHFFFAOYSA-N
SMILES:
N#CC(C(=N)n1cccn1)([Cu]C(C(=N)n1cccn1)(C#N)C#N)C#N
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.023g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.834g/mol
Monoisotopic Mass:
379.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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