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117397-88-3 | 3(2H)-Pyridazinone, 6-(4-chloro-3-nitrophenyl)-4,5-dihydro-5-methyl-
CAS No: 117397-88-3 Catalog No: AG000E7L MDL No:
Product Description
Catalog Number:
AG000E7L
Chemical Name:
3(2H)-Pyridazinone, 6-(4-chloro-3-nitrophenyl)-4,5-dihydro-5-methyl-
CAS Number:
117397-88-3
Molecular Formula:
C11H10ClN3O3
Molecular Weight:
267.6684
IUPAC Name:
3-(4-chloro-3-nitrophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C11H10ClN3O3/c1-6-4-10(16)13-14-11(6)7-2-3-8(12)9(5-7)15(17)18/h2-3,5-6H,4H2,1H3,(H,13,16)
InChI Key:
YJXLFWFRDVWRSY-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C(C1)C)c1ccc(c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.669g/mol
Monoisotopic Mass:
267.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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