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308103-90-4 | 2H-Indazole, 4,6-dinitro-2-phenyl-
CAS No: 308103-90-4 Catalog No: AG0031D0 MDL No:
Product Description
Catalog Number:
AG0031D0
Chemical Name:
2H-Indazole, 4,6-dinitro-2-phenyl-
CAS Number:
308103-90-4
Molecular Formula:
C13H8N4O4
Molecular Weight:
284.2270
IUPAC Name:
4,6-dinitro-2-phenylindazole
InChI:
InChI=1S/C13H8N4O4/c18-16(19)10-6-12-11(13(7-10)17(20)21)8-15(14-12)9-4-2-1-3-5-9/h1-8H
InChI Key:
FGCHSEHTKDCGLN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1cn(n2)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.231g/mol
Monoisotopic Mass:
284.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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