3-(chlorodifluoromethyl)-6-(2,4-difluorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

3-(chlorodifluoromethyl)-6-(2,4-difluorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

CAS: 832739-42-1

Formula: C11H5ClF4N4S

SMILES: FC1=CC=C(C(F)=C1)C1=CSC2=NN=C(N2N1)C(F)(F)Cl

IUPAC: 3-(chlorodifluoromethyl)-6-(2,4-difluorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

InChI: InChI=1S/C11H5ClF4N4S/c12-11(15,16)9-17-18-10-20(9)19-8(4-21-10)6-2-1-5(13)3-7(6)14/h1-4,19H

Composition: C (39.24%), H (1.50%), Cl (10.53%), F (22.57%), N (16.64%), S (9.52%)

Molar Mass: 336.69

Atom Count: 26

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	335.9859577
Formal Charge	0
FSP3	0.09
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QARQNVLTSBIROG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.73
Topological Polar Surface Area	42.74
Polarizability	25.77
Ring Count	3
Rotatable Bond Count	2

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