4-methylbenzoyl isothiocyanate
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4-methylbenzoyl isothiocyanate
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CAS No:
16794-68-6
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Formula:
C9H7NOS
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Chemical Name:
4-methylbenzoyl isothiocyanate
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Synonyms:
4-Methylbenzoyl isothiocyanate;16794-68-6;4-Methylbenzoylisothiocyanate;Benzoyl isothiocyanate,4-methyl-;4-methyl-benzoyl isothiocyanate;SCHEMBL2892447;DTXSID90168446;Benzoyl isothiocyanate, 4-methyl-;ZINC2528094;5390AD;MFCD00060380;AKOS009076040;FS-4607;isothiocyanato-(4-methylphenyl)methanone;4-methyl-1-benzenecarbonyl isothiocyanate;BP-10694;DB-043723;FT-0637429;A810924;J-010415
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CAS No:
Computed Properties
Molecular Weight:177.22
XLogP3:3.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:177.02483502
Monoisotopic Mass:177.02483502
Topological Polar Surface Area:61.5
Heavy Atom Count:12
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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