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Home > Nitro Compounds > 90074-50-3
90074-50-3 | 2(1H)-Quinolinone, 4-[5-[(4-nitrophenyl)thio]-1,3,4-oxadiazol-2-yl]-
CAS No: 90074-50-3 Catalog No: AG00H8AP MDL No:
Product Description
Catalog Number:
AG00H8AP
Chemical Name:
2(1H)-Quinolinone, 4-[5-[(4-nitrophenyl)thio]-1,3,4-oxadiazol-2-yl]-
CAS Number:
90074-50-3
Molecular Formula:
C17H10N4O4S
Molecular Weight:
366.3507
IUPAC Name:
4-[5-(4-nitrophenyl)sulfanyl-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one
InChI:
InChI=1S/C17H10N4O4S/c22-15-9-13(12-3-1-2-4-14(12)18-15)16-19-20-17(25-16)26-11-7-5-10(6-8-11)21(23)24/h1-9H,(H,18,22)
InChI Key:
YEVMIYARXXWKPM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Sc1nnc(o1)c1cc(=O)[nH]c2c1cccc2
Properties
Complexity:
588
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.042g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.351g/mol
Monoisotopic Mass:
366.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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