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919785-67-4 | 4,5-Pyridazinedicarbonitrile, 1,4-dihydro-4-(2-methyl-1H-indol-3-yl)-
CAS No: 919785-67-4 Catalog No: AG006520 MDL No:
Product Description
Catalog Number:
AG006520
Chemical Name:
4,5-Pyridazinedicarbonitrile, 1,4-dihydro-4-(2-methyl-1H-indol-3-yl)-
CAS Number:
919785-67-4
Molecular Formula:
C15H11N5
Molecular Weight:
261.2813
IUPAC Name:
4-(2-methyl-1H-indol-3-yl)-1H-pyridazine-4,5-dicarbonitrile
InChI:
InChI=1S/C15H11N5/c1-10-14(12-4-2-3-5-13(12)20-10)15(8-17)9-19-18-7-11(15)6-16/h2-5,7,9,18,20H,1H3
InChI Key:
MSBWAGKRHAJVQV-UHFFFAOYSA-N
SMILES:
N#CC1=CNN=CC1(C#N)c1c(C)[nH]c2c1cccc2
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.288g/mol
Monoisotopic Mass:
261.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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