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676265-81-9 | 1H-Imidazole, 4,5-diphenyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 676265-81-9 Catalog No: AG005RXI MDL No:
Product Description
Catalog Number:
AG005RXI
Chemical Name:
1H-Imidazole, 4,5-diphenyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
676265-81-9
Molecular Formula:
C21H15N5O7
Molecular Weight:
449.3731
IUPAC Name:
4,5-diphenyl-1H-imidazole;2,4,6-trinitrophenol
InChI:
InChI=1S/C15H12N2.C6H3N3O7/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-11H,(H,16,17);1-2,10H
InChI Key:
XQDDQDQWQCWKGR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1[nH]cnc1c1ccccc1.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.097g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
449.379g/mol
Monoisotopic Mass:
449.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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