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Home Other Building Blocks 6-(p-tolyl)-4,5-dihydro-3(2H)-pyridazinone

6-(p-tolyl)-4,5-dihydro-3(2H)-pyridazinone

CAS No.:
1079-72-7
Catalog Number:
AG009QWY
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
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Product Description
Catalog Number:
AG009QWY
Chemical Name:
6-(p-tolyl)-4,5-dihydro-3(2H)-pyridazinone
CAS Number:
1079-72-7
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD01218796
IUPAC Name:
3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)10-6-7-11(14)13-12-10/h2-5H,6-7H2,1H3,(H,13,14)
InChI Key:
JPAYUPFRSQJUOX-UHFFFAOYSA-N
SMILES:
O=C1CCC(=NN1)c1ccc(cc1)C
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties