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84632-22-4 | (TCNQ)2 ISOQUINOLINE(N-N-BUTYL)
CAS No: 84632-22-4 Catalog No: AG00G63N MDL No:
Product Description
Catalog Number:
AG00G63N
Chemical Name:
(TCNQ)2 ISOQUINOLINE(N-N-BUTYL)
CAS Number:
84632-22-4
IUPAC Name:
2-butylisoquinolin-2-ium;2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile
InChI:
InChI=1S/C13H16N.2C12H4N4/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14;2*13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h4-8,10-11H,2-3,9H2,1H3;2*1-4H/q+1;;
InChI Key:
DWQYPMZUZXCSAI-UHFFFAOYSA-N
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
594.215g/mol
Formal Charge:
1
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
594.662g/mol
Monoisotopic Mass:
594.215g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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