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Home > Imidazoles > 831223-63-3
831223-63-3 | 1H-Imidazole, 1-[(2,3-dinitrosophenyl)methyl]-
CAS No: 831223-63-3 Catalog No: AG004W3K MDL No:
Product Description
Catalog Number:
AG004W3K
Chemical Name:
1H-Imidazole, 1-[(2,3-dinitrosophenyl)methyl]-
CAS Number:
831223-63-3
Molecular Formula:
C10H8N4O2
Molecular Weight:
216.1961
IUPAC Name:
1-[(2,3-dinitrosophenyl)methyl]imidazole
InChI:
InChI=1S/C10H8N4O2/c15-12-9-3-1-2-8(10(9)13-16)6-14-5-4-11-7-14/h1-5,7H,6H2
InChI Key:
HAUAXYZKZJRUBZ-UHFFFAOYSA-N
SMILES:
O=Nc1c(N=O)cccc1Cn1cncc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.065g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.2g/mol
Monoisotopic Mass:
216.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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