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117144-78-2 | 3(2H)-Pyridazinone, 6-chloro-4-(2-chloro-1,1-dimethylethyl)-
CAS No: 117144-78-2 Catalog No: AG000DSQ MDL No:
Product Description
Catalog Number:
AG000DSQ
Chemical Name:
3(2H)-Pyridazinone, 6-chloro-4-(2-chloro-1,1-dimethylethyl)-
CAS Number:
117144-78-2
Molecular Formula:
C8H10Cl2N2O
Molecular Weight:
221.0838
IUPAC Name:
3-chloro-5-(1-chloro-2-methylpropan-2-yl)-1H-pyridazin-6-one
InChI:
InChI=1S/C8H10Cl2N2O/c1-8(2,4-9)5-3-6(10)11-12-7(5)13/h3H,4H2,1-2H3,(H,12,13)
InChI Key:
BIIMJNQYRVWGAQ-UHFFFAOYSA-N
SMILES:
ClCC(c1cc(Cl)n[nH]c1=O)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.081g/mol
Monoisotopic Mass:
220.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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