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124522-11-8 | Propanedinitrile, [[2-chloro-3-(2,2-dicyanoethenyl)-2-cyclopenten-1-ylidene]methyl]-, compd. with pyridine (1:1) (9CI)
CAS No: 124522-11-8 Catalog No: AG000M5P MDL No:
Product Description
Catalog Number:
AG000M5P
Chemical Name:
Propanedinitrile, [[2-chloro-3-(2,2-dicyanoethenyl)-2-cyclopenten-1-ylidene]methyl]-, compd. with pyridine (1:1) (9CI)
CAS Number:
124522-11-8
Molecular Formula:
C18H12ClN5
Molecular Weight:
333.7744
IUPAC Name:
2-[[2-chloro-3-(2,2-dicyanoethenyl)cyclopent-2-en-1-ylidene]methyl]propanedinitrile;pyridine
InChI:
InChI=1S/C13H7ClN4.C5H5N/c14-13-11(3-9(5-15)6-16)1-2-12(13)4-10(7-17)8-18;1-2-4-6-5-3-1/h3-4,9H,1-2H2;1-5H
InChI Key:
CHFPQLKNWYOHDF-UHFFFAOYSA-N
SMILES:
c1ccncc1.N#CC(/C=C/1\CCC(=C1Cl)C=C(C#N)C#N)C#N
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.078g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.779g/mol
Monoisotopic Mass:
333.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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