Bicyclo[2.2.2]octane-1-carboxylic acid, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-, Methyl ester
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Bicyclo[2.2.2]octane-1-carboxylic acid, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-, Methyl ester
structure -
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CAS No:
719274-90-5
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Formula:
C20H22F3N3O2
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Chemical Name:
Bicyclo[2.2.2]octane-1-carboxylic acid, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-, Methyl ester
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Synonyms:
Methyl 4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octane-1-carboxylate;methyl 4-{4-methyl-5-[2-(trifluoromethyl)phenyl]-4h-1,2,4-triazol-3-yl}bicyclo[2.2.2]octane-1-carboxylate;SCHEMBL1679814;DTXSID60609639;ZINC91302047;methyl 1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]bicyclo[2.2.2]octane-4-carboxylate
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CAS No:
Bicyclo[2.2.2]octane-1-carboxylic acid, 4-[4-Methyl-5-[2-(trifluoroMethyl)phenyl]-4H-1,2,4-triazol-3-yl]-, Methyl ester Basic Attributes
393.4027896
393.16600
DTXSID60609639
2933990090
Computed Properties
Molecular Weight:393.4
XLogP3:3.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:393.16641144
Monoisotopic Mass:393.16641144
Topological Polar Surface Area:57
Heavy Atom Count:28
Complexity:588
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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