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Home > Imidazoles > 14595-67-6
14595-67-6 | Benzoxazole, 2-(1H-benzimidazol-2-yl)-
CAS No: 14595-67-6 Catalog No: AG001DK9 MDL No:
Product Description
Catalog Number:
AG001DK9
Chemical Name:
Benzoxazole, 2-(1H-benzimidazol-2-yl)-
CAS Number:
14595-67-6
Molecular Formula:
C14H9N3O
Molecular Weight:
235.2408
IUPAC Name:
2-(1H-benzimidazol-2-yl)-1,3-benzoxazole
InChI:
InChI=1S/C14H9N3O/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H,(H,15,16)
InChI Key:
IOKQVGHOQCPQNH-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc(o2)c1[nH]c2c(n1)cccc2
NSC Number:
650840
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.246g/mol
Monoisotopic Mass:
235.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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