vaniliprole
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vaniliprole
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CAS No:
145767-97-1
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Formula:
C20H10Cl2F6N4O2S
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Chemical Name:
vaniliprole
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Synonyms:
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile; 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-{[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]amino}-4-[(trifluoromethyl)sulfanyl]-1H-pyrazole-3-carbonitrile; (E)-1-(2,6-dichloro-α,α,α-trifluoro-p-tolyl)-5-(4-hydroxy-3-methoxybenzylideneamino)-4-trifluoromethylthiopyrazole-3-carbonitrile; 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[[(E)-(4-hydroxy-3-methoxyphenyl)methylene]amino]-4-[(trifluoromethyl)thio]-1H-pyrazole-3-carbonitrile; Vaniliprole;
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CAS No:
Computed Properties
Molecular Weight:555.3
XLogP3:7.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:553.9805711
Monoisotopic Mass:553.9805711
Topological Polar Surface Area:109
Heavy Atom Count:35
Complexity:801
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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