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115885-67-1 | Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)-
CAS No: 115885-67-1 Catalog No: AG000H1I MDL No:MFCD28157365
Product Description
Catalog Number:
AG000H1I
Chemical Name:
Pyridazine, 3,6-dichloro-4-(1,1-dimethylpropyl)-
CAS Number:
115885-67-1
Molecular Formula:
C9H12Cl2N2
Molecular Weight:
219.1110
MDL Number:
MFCD28157365
IUPAC Name:
3,6-dichloro-4-(2-methylbutan-2-yl)pyridazine
InChI:
InChI=1S/C9H12Cl2N2/c1-4-9(2,3)6-5-7(10)12-13-8(6)11/h5H,4H2,1-3H3
InChI Key:
MSMPBVJTMBQVRQ-UHFFFAOYSA-N
SMILES:
CCC(c1cc(Cl)nnc1Cl)(C)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.109g/mol
Monoisotopic Mass:
218.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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