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21274-69-1 | 6H-PYRAZOLO[3,4-G]BENZOXAZOLE
CAS No: 21274-69-1 Catalog No: AG007OII MDL No:
Product Description
Catalog Number:
AG007OII
Chemical Name:
6H-PYRAZOLO[3,4-G]BENZOXAZOLE
CAS Number:
21274-69-1
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
6H-pyrazolo[3,4-g][1,3]benzoxazole
InChI:
InChI=1S/C8H5N3O/c1-2-7-8(12-4-9-7)5-3-10-11-6(1)5/h1-4H,(H,10,11)
InChI Key:
WJPFNTJXQUJCNU-UHFFFAOYSA-N
SMILES:
n1[nH]c2c(c1)c1ocnc1cc2
Properties
Complexity:
187
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:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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