C1=CC(=NN2C1=NN=C2C(F)(F)F)Cl
CAS: 40971-95-7
Name: 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILES: C1=CC(=NN2C1=NN=C2C(F)(F)F)Cl

Molecular Processing

Molecular formula
C6H2ClF3N4
Molecular weight
222.56
Exact mass
221.992
XLogP
1.8
TPSA
43.08
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
40.79

Supplementary Information

InChIKey: IJESFQCCOFNOQG-UHFFFAOYSA-N
Synonyme
6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine6-Chloro-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-b)pyridazineRefChem:541615885-790-240971-95-76-chloro-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazineMFCD00505462MMV069458SR-01000530696MLS000713003SCHEMBL750158SCHEMBL4444634CHEMBL1484078DTXSID103466286-Chloro-3-trifluoromethyl-[1,2,4]triazolo[4,3-b]pyridazineHMS2693B156-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-f]pyridazineSTK723017AKOS001275912EBC-159027SB13356PD061555SMR000282770SY168498DB-359414CS-0072341EU-0085866EN300-247724M-731F301727
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