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874289-93-7 | 9H-Carbazole-2,7-diamine, compd. with 2,7-dinitro-9H-carbazole (1:1)
CAS No: 874289-93-7 Catalog No: AG004J05 MDL No:
Product Description
Catalog Number:
AG004J05
Chemical Name:
9H-Carbazole-2,7-diamine, compd. with 2,7-dinitro-9H-carbazole (1:1)
CAS Number:
874289-93-7
Molecular Formula:
C24H18N6O4
Molecular Weight:
454.4375
IUPAC Name:
9H-carbazole-2,7-diamine;2,7-dinitro-9H-carbazole
InChI:
InChI=1S/C12H7N3O4.C12H11N3/c16-14(17)7-1-3-9-10-4-2-8(15(18)19)6-12(10)13-11(9)5-7;13-7-1-3-9-10-4-2-8(14)6-12(10)15-11(9)5-7/h1-6,13H;1-6,15H,13-14H2
InChI Key:
FEBRZJRNISCNCJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c1c2ccc(c1)[N+](=O)[O-].Nc1ccc2c(c1)[nH]c1c2ccc(c1)N
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.139g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
454.446g/mol
Monoisotopic Mass:
454.139g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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