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Home > Imidazoles > 88172-45-6
88172-45-6 | Benzimidazo[1,2-a]quinolinium, 6-cyano-5-hydroxy-7-methyl-3-nitro-
CAS No: 88172-45-6 Catalog No: AG004CKN MDL No:
Product Description
Catalog Number:
AG004CKN
Chemical Name:
Benzimidazo[1,2-a]quinolinium, 6-cyano-5-hydroxy-7-methyl-3-nitro-
CAS Number:
88172-45-6
Molecular Formula:
C17H11N4O3+
Molecular Weight:
319.2942
IUPAC Name:
5-hydroxy-7-methyl-3-nitrobenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile
InChI:
InChI=1S/C17H10N4O3/c1-19-14-4-2-3-5-15(14)20-13-7-6-10(21(23)24)8-11(13)16(22)12(9-18)17(19)20/h2-8H,1H3/p+1
InChI Key:
XMBFJUKHPWGSMO-UHFFFAOYSA-O
SMILES:
N#Cc1c(O)c2cc(ccc2n2c1[n+](C)c1c2cccc1)[N+](=O)[O-]
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.083g/mol
Formal Charge:
1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.3g/mol
Monoisotopic Mass:
319.083g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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