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133818-22-1 | ISOXAZOLO[5,4-E]-2,1,3-BENZOXADIAZOLE
CAS No: 133818-22-1 Catalog No: AG00720B MDL No:
Product Description
Catalog Number:
AG00720B
Chemical Name:
ISOXAZOLO[5,4-E]-2,1,3-BENZOXADIAZOLE
CAS Number:
133818-22-1
Molecular Formula:
C7H3N3O2
Molecular Weight:
161.1176
IUPAC Name:
[1,2]oxazolo[4,5-g][2,1,3]benzoxadiazole
InChI:
InChI=1S/C7H3N3O2/c1-2-5-6(10-12-9-5)7-4(1)3-8-11-7/h1-3H
InChI Key:
HXVCWWCPHCJBHF-UHFFFAOYSA-N
SMILES:
o1nc2c(n1)c1oncc1cc2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.12g/mol
Monoisotopic Mass:
161.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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