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85936-46-5 | 2(1H)-Quinoxalinone, 3,4-dihydro-3-(1,3,4-oxadiazol-2-ylmethylene)-
CAS No: 85936-46-5 Catalog No: AG004QLZ MDL No:
Product Description
Catalog Number:
AG004QLZ
Chemical Name:
2(1H)-Quinoxalinone, 3,4-dihydro-3-(1,3,4-oxadiazol-2-ylmethylene)-
CAS Number:
85936-46-5
Molecular Formula:
C11H8N4O2
Molecular Weight:
228.2068
IUPAC Name:
3-(1,3,4-oxadiazol-2-ylmethylidene)-1,4-dihydroquinoxalin-2-one
InChI:
InChI=1S/C11H8N4O2/c16-11-9(5-10-15-12-6-17-10)13-7-3-1-2-4-8(7)14-11/h1-6,13H,(H,14,16)
InChI Key:
IXTUSEFQTSIIKE-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2[nH]c1=Cc1nnco1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.211g/mol
Monoisotopic Mass:
228.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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