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Home > Imidazoles > 185351-28-4
185351-28-4 | 1,4-Naphthalenedione, 2-(1H-benzimidazol-1-yl)-3-hydroxy-
CAS No: 185351-28-4 Catalog No: AG0077FD MDL No:
Product Description
Catalog Number:
AG0077FD
Chemical Name:
1,4-Naphthalenedione, 2-(1H-benzimidazol-1-yl)-3-hydroxy-
CAS Number:
185351-28-4
Molecular Formula:
C17H10N2O3
Molecular Weight:
290.2729
IUPAC Name:
3-(benzimidazol-1-yl)-4-hydroxynaphthalene-1,2-dione
InChI:
InChI=1S/C17H10N2O3/c20-15-10-5-1-2-6-11(10)16(21)17(22)14(15)19-9-18-12-7-3-4-8-13(12)19/h1-9,20H
InChI Key:
BBJFTHUWSVDQJW-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)C(=C1O)n1cnc2c1cccc2
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.278g/mol
Monoisotopic Mass:
290.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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