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143716-89-6 | 2,5-Cyclohexadiene-1,4-dione, 2,6-bis[[(methylamino)phenyl]azo]- (9CI)
CAS No: 143716-89-6 Catalog No: AG001I98 MDL No:
Product Description
Catalog Number:
AG001I98
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,6-bis[[(methylamino)phenyl]azo]- (9CI)
CAS Number:
143716-89-6
Molecular Formula:
C20H18N6O2
Molecular Weight:
374.3959
IUPAC Name:
2,6-bis[[2-(methylamino)phenyl]diazenyl]cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C20H18N6O2/c1-21-14-7-3-5-9-16(14)23-25-18-11-13(27)12-19(20(18)28)26-24-17-10-6-4-8-15(17)22-2/h3-12,21-22H,1-2H3
InChI Key:
TZESHOPDSALGJK-UHFFFAOYSA-N
SMILES:
CNc1ccccc1N=NC1=CC(=O)C=C(C1=O)N=Nc1ccccc1NC
Properties
Complexity:
656
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.149g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.404g/mol
Monoisotopic Mass:
374.149g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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