3-Chloro-6-(chloromethyl)pyridazine

Formula:C5H4N2Cl2 CAS:120276-59-7 ChemrytIQ

PropertyValue
Casrn120276-59-7
MolName3-Chloro-6-(chloromethyl)pyridazine
MolecularFormulaC5H4N2Cl2
SmilesClCc(cc1)nnc1Cl
InChIInChI=1S/C5H4Cl2N2/c6-3-4-1-2-5(7)9-8-4/h1-2H,3H2
InChIKXWFUSBPVIYJBML-UHFFFAOYSA-N
CanonicalSyTyLFy7e46d1649dc7a6ff
TotalMolweight163.007
Molweight163.007
MonoisotopicMass161.975152
CLogP1.1213
CLogS-2.011
H Acceptors2
TotalSurfaceArea115.38
Relative PSA0.19015
PolarSurfaceArea25.78
Druglikeness-1.9907
Mutageniclow
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionsallyl/benzyl chloride
Shape Index0.77778
Molecula Flexibility0.28257
Molecular Complexity0.7083
Fragments1
Non HAtoms9
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms1
Aromatic Nitrogens2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943 ChemrytIQ
100-29-8nonenonenoneC8H9NO3167.163-8.928 ChemrytIQ
100004-93-1nonehighnoneC16H11NO2249.268-1.5746 ChemrytIQ
100031-92-3nonenonehighC10H30OSi4278.691-53.619 ChemrytIQ
1000017-97-9nonenonenoneC10H11N3O2205.216-1.3937 ChemrytIQ
1000025-59-1nonenonenoneC14H11O3Cl262.691-1.449 ChemrytIQ
100012-49-5nonenonenoneC10H2O4Br4505.738-8.4981 ChemrytIQ
1000-00-6nonenonehighC10H26OSi2218.487-62.76 ChemrytIQ
100008-36-4nonenonenoneC17H22O2258.36-5.6379 ChemrytIQ
1000-05-1nonenonehighC8H26O3Si4282.635-83.299 ChemrytIQ
100-44-7highhighnoneC7H7Cl126.586-2.365 ChemrytIQ
100-25-4nonenonenoneC6H4N2O4168.108-7.74 ChemrytIQ
100031-88-7nonenonehighC10H30O3Si4310.689-53.619 ChemrytIQ
1000284-53-6nonenonehighC18H36O2284.482-15.583 ChemrytIQ
10002-37-6nonenonenoneC9H16N2O168.239-3.8085 ChemrytIQ
1000-69-7highnonelowC7H18SSn252.996-9.6969 ChemrytIQ
1000018-39-2highhighlowC13H20N2O2S268.381.9315 ChemrytIQ
100-99-2nonenonelowC12H27Al198.328-22.009 ChemrytIQ
100-12-9nonenonenoneC8H9NO2151.164-7.7443 ChemrytIQ
100-33-4nonenonenoneC19H24N4O2340.426-7.2784 ChemrytIQ
100033-59-8nonenonenoneC8H16N2140.2290.9406 ChemrytIQ
100-90-3nonenonenoneC14H16N4O3S320.3724.7301 ChemrytIQ
100-18-5nonenonenoneC12H18162.275-2.5088 ChemrytIQ
1000025-93-3nonenonenoneC20H17NO4335.358-1.6731 ChemrytIQ
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213 ChemrytIQ
10-35-5nonenonenoneC4H6O2BrF184.992-23.473 ChemrytIQ
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949 ChemrytIQ
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275 ChemrytIQ
100009-99-2lowhighnoneC21H25NO4355.4332.9337 ChemrytIQ
100011-01-6nonenonenoneC9H18O2158.24-2.3462 ChemrytIQ
100-97-0highhighhighC6H12N4140.1891.5849 ChemrytIQ
100-41-4highhighhighC8H10106.167-2.68 ChemrytIQ
1000018-49-4nonenonenoneC14H19NO5S313.3732.5797 ChemrytIQ
1000068-23-4nonelownoneC14H18NO5B291.11-44.603 ChemrytIQ
1000068-42-7nonenonenoneC10H11NO3BrFS324.169-2.2263 ChemrytIQ
1000-16-4nonenonenoneC13H30NO3P279.359-34.244 ChemrytIQ
100020-95-9highnonelowC12H17OCl212.719-11.962 ChemrytIQ
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356 ChemrytIQ
100018-96-0highhighnoneC20H39O2I438.428-31.232 ChemrytIQ
100-22-1highhighnoneC10H16N2164.2510.40939 ChemrytIQ
100023-32-3highhighnoneCH3O4S.C20H19N2O303.3840.7545 ChemrytIQ
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197 ChemrytIQ
1000018-44-9nonenonenoneC13H16N2O5280.279-2.3885 ChemrytIQ
100010-02-4nonenonenoneC14H23NO221.343-6.1109 ChemrytIQ
100-40-3nonenonehighC8H12108.183-9.1684 ChemrytIQ
100003-85-8highhighnoneC13H8N2OCl2S311.1921.0858 ChemrytIQ
10001-13-5nonenonehighC12H22N2O210.323.9217 ChemrytIQ
100-28-7highlowlowC7H4N2O3164.12-21.552 ChemrytIQ
1000339-31-0nonenonehighC12H16NCl209.7190.65299 ChemrytIQ
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216 ChemrytIQ
100-49-2nonenonenoneC7H14O114.187-9.3679 ChemrytIQ
100017-22-9highhighhighC5H8O2100.117-8.1063 ChemrytIQ
100-57-2highlowlowC6H6OHg294.703-2.3891 ChemrytIQ
100-48-1nonenonenoneC6H4N2104.112-6.0498 ChemrytIQ
100001-06-7nonenonenoneI.C20H28NO298.448-2.3411 ChemrytIQ
10001-43-1nonenonenoneC15H18N6O2314.3484.1828 ChemrytIQ
100007-67-8highnonelowC5H7OClF2156.559-12.702 ChemrytIQ
100-92-5nonenonenoneC11H17N163.2631.1672 ChemrytIQ
100-16-3lowhighnoneC6H7N3O2153.141-9.8627 ChemrytIQ
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689 ChemrytIQ