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Home > Imidazoles > 933789-60-7
933789-60-7 | 2H-IMIDAZO[4,5-E]BENZOXAZOLE
CAS No: 933789-60-7 Catalog No: AG006G76 MDL No:
Product Description
Catalog Number:
AG006G76
Chemical Name:
2H-IMIDAZO[4,5-E]BENZOXAZOLE
CAS Number:
933789-60-7
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
2H-imidazo[4,5-e][1,3]benzoxazole
InChI:
InChI=1S/C8H5N3O/c1-2-6-8(11-4-12-6)7-5(1)9-3-10-7/h1-3H,4H2
InChI Key:
ACNQNJXQUDTPHA-UHFFFAOYSA-N
SMILES:
C1Oc2c(=N1)c1=NC=Nc1cc2
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.148g/mol
Monoisotopic Mass:
159.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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