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89381-24-8 | 1H-Pyrazolo[3,4-e]-2,1,3-benzoxadiazole(9CI)
CAS No: 89381-24-8 Catalog No: AG003WBU MDL No:
Product Description
Catalog Number:
AG003WBU
Chemical Name:
1H-Pyrazolo[3,4-e]-2,1,3-benzoxadiazole(9CI)
CAS Number:
89381-24-8
Molecular Formula:
C7H4N4O
Molecular Weight:
160.1329
IUPAC Name:
3H-pyrazolo[3,4-e][2,1,3]benzoxadiazole
InChI:
InChI=1S/C7H4N4O/c1-2-5-7(11-12-10-5)6-4(1)3-8-9-6/h1-3,10H
InChI Key:
AAIDBUYKROABQH-UHFFFAOYSA-N
SMILES:
n1cc2c(n1)c1[nH]onc1cc2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.136g/mol
Monoisotopic Mass:
160.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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