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Home > Pyridines > 900019-82-1
900019-82-1 | 2-phenyl-6-[(5-sulfanyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydropyridazin-3-one
CAS No: 900019-82-1 Catalog No: AG00IRHZ MDL No:MFCD06496229
Product Description
Catalog Number:
AG00IRHZ
Chemical Name:
2-phenyl-6-[(5-sulfanyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydropyridazin-3-one
CAS Number:
900019-82-1
Molecular Formula:
C13H10N4O3S
Molecular Weight:
302.3085
MDL Number:
MFCD06496229
IUPAC Name:
2-phenyl-6-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]pyridazin-3-one
InChI:
InChI=1S/C13H10N4O3S/c18-12-7-6-10(19-8-11-14-15-13(21)20-11)16-17(12)9-4-2-1-3-5-9/h1-7H,8H2,(H,15,21)
InChI Key:
QFXOECONEBXFSQ-UHFFFAOYSA-N
SMILES:
Sc1nnc(o1)COc1ccc(=O)n(n1)c1ccccc1
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.047g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.308g/mol
Monoisotopic Mass:
302.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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