4-Isothiocyanatobenzamide
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4-Isothiocyanatobenzamide
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CAS No:
158756-25-3
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Formula:
C8H6N2OS
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Chemical Name:
4-Isothiocyanatobenzamide
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Synonyms:
4-isothiocyanato-benzamide; 4-isothiocyanato-4-methyl-2-pentanone; 4-isothiocyanato-4-methylpentane-2-one; 4-isothiocyanato0benzamide; 4-Isothiocyanato-4-methyl-pentan-2-on; 4-isothiocyanato-4-methyl pentan-2-one; 2-Pentanone,4-isothiocyanato-4-methyl; N-Thiocarbonyl-diacetonamin;Expand
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CAS No:
Computed Properties
Molecular Weight:178.21
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:178.02008399
Monoisotopic Mass:178.02008399
Topological Polar Surface Area:87.5
Heavy Atom Count:12
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 4-Isothiocyanatobenzamide
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