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78172-25-5 | Isoxazolo[3,4-b]quinoxaline(9CI)
CAS No: 78172-25-5 Catalog No: AG008NH2 MDL No:
Product Description
Catalog Number:
AG008NH2
Chemical Name:
Isoxazolo[3,4-b]quinoxaline(9CI)
CAS Number:
78172-25-5
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
IUPAC Name:
[1,2]oxazolo[4,3-b]quinoxaline
InChI:
InChI=1S/C9H5N3O/c1-2-4-7-6(3-1)10-8-5-13-12-9(8)11-7/h1-5H
InChI Key:
FJLSCBREKAJHIX-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc1c(n2)con1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.159g/mol
Monoisotopic Mass:
171.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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