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Home > Pyridines > 851854-21-2
851854-21-2 | 6-(1-benzofuran-2-yl)pyridazin-3(2H)-one
CAS No: 851854-21-2 Catalog No: AG0197B8 MDL No:MFCD12143120
Product Description
Catalog Number:
AG0197B8
Chemical Name:
6-(1-benzofuran-2-yl)pyridazin-3(2H)-one
CAS Number:
851854-21-2
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
MDL Number:
MFCD12143120
IUPAC Name:
3-(1-benzofuran-2-yl)-1H-pyridazin-6-one
InChI:
InChI=1S/C12H8N2O2/c15-12-6-5-9(13-14-12)11-7-8-3-1-2-4-10(8)16-11/h1-7H,(H,14,15)
InChI Key:
ZHAOUISCSIVVDL-UHFFFAOYSA-N
SMILES:
O=c1ccc(n[nH]1)c1cc2c(o1)cccc2
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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