6-methyl-5-(2,4,5-trichlorophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine

6-methyl-5-(2,4,5-trichlorophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine

CAS: 339103-84-3

Formula: C17H9Cl3F3N3O

SMILES: CC1=NN=C(N=C1OC1=CC(Cl)=C(Cl)C=C1Cl)C1=CC(=CC=C1)C(F)(F)F

IUPAC: 6-methyl-5-(2,4,5-trichlorophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine

InChI: InChI=1S/C17H9Cl3F3N3O/c1-8-16(27-14-7-12(19)11(18)6-13(14)20)24-15(26-25-8)9-3-2-4-10(5-9)17(21,22)23/h2-7H,1H3

Composition: C (46.98%), H (2.09%), Cl (24.47%), F (13.11%), N (9.67%), O (3.68%)

Molar Mass: 434.62

Atom Count: 36

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	432.9763295
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HSTCQIQGMXFZAW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	109.53
Topological Polar Surface Area	47.9
Polarizability	36.96
Ring Count	3
Rotatable Bond Count	4

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