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Home > Pyridines > 143268-22-8
143268-22-8 | "6-(1,3-benzodioxol-5-yl)pyridazin-3-ol"
CAS No: 143268-22-8 Catalog No: AG01FM7C MDL No:MFCD12143119
Product Description
Catalog Number:
AG01FM7C
Chemical Name:
"6-(1,3-benzodioxol-5-yl)pyridazin-3-ol"
CAS Number:
143268-22-8
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
MDL Number:
MFCD12143119
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-1H-pyridazin-6-one
InChI:
InChI=1S/C11H8N2O3/c14-11-4-2-8(12-13-11)7-1-3-9-10(5-7)16-6-15-9/h1-5H,6H2,(H,13,14)
InChI Key:
GRNPSJYNWCVENO-UHFFFAOYSA-N
SMILES:
Oc1ccc(nn1)c1ccc2c(c1)OCO2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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