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84732-07-0 | 1H-Imidazo[4,5-e][2,1]benzisoxazole(9CI)
CAS No: 84732-07-0 Catalog No: AG004PCR MDL No:
Product Description
Catalog Number:
AG004PCR
Chemical Name:
1H-Imidazo[4,5-e][2,1]benzisoxazole(9CI)
CAS Number:
84732-07-0
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
6H-imidazo[4,5-e][2,1]benzoxazole
InChI:
InChI=1S/C8H5N3O/c1-2-7-8(10-4-9-7)5-3-12-11-6(1)5/h1-4,11H
InChI Key:
YSWLQMROJQUOSK-UHFFFAOYSA-N
SMILES:
c1nc2c([nH]1)c1conc1cc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
159.148g/mol
Monoisotopic Mass:
159.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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