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101917-77-5 | [1,2,5]Oxadiazolo[3,4-g]quinoxaline (9CI)
CAS No: 101917-77-5 Catalog No: AG0005YF MDL No:
Product Description
Catalog Number:
AG0005YF
Chemical Name:
[1,2,5]Oxadiazolo[3,4-g]quinoxaline (9CI)
CAS Number:
101917-77-5
Molecular Formula:
C8H4N4O
Molecular Weight:
172.1436
IUPAC Name:
[1,2,5]oxadiazolo[3,4-g]quinoxaline
InChI:
InChI=1S/C8H4N4O/c1-2-10-6-4-8-7(11-13-12-8)3-5(6)9-1/h1-4H
InChI Key:
AFPAWAIGEVKKOI-UHFFFAOYSA-N
SMILES:
c1cnc2c(n1)cc1c(c2)non1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.147g/mol
Monoisotopic Mass:
172.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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