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42341-37-7 | 2H-IMIDAZO[4,5-G]BENZOXAZOLE
CAS No: 42341-37-7 Catalog No: AG0072PN MDL No:
Product Description
Catalog Number:
AG0072PN
Chemical Name:
2H-IMIDAZO[4,5-G]BENZOXAZOLE
CAS Number:
42341-37-7
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
2H-imidazo[4,5-g][1,3]benzoxazole
InChI:
InChI=1S/C8H5N3O/c1-2-6-8(12-4-11-6)7-5(1)9-3-10-7/h1-3H,4H2
InChI Key:
KCQWIJAGFGWVSN-UHFFFAOYSA-N
SMILES:
C1=Nc2c(=N1)ccc1=NCOc21
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:
-0.2
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