4-Methoxy-2-methylphenyl isothiocyanate
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4-Methoxy-2-methylphenyl isothiocyanate
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CAS No:
40046-28-4
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Formula:
C9H9NOS
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Chemical Name:
4-Methoxy-2-methylphenyl isothiocyanate
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Synonyms:
Benzene,1-isothiocyanato-4-methoxy-2-methyl-;1-Isothiocyanato-4-methoxy-2-methylbenzene;2-Methyl-4-methoxyphenyl isothiocyanate;4-Methoxy-2-methylphenyl isothiocyanate;742097-60-5
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CAS No:
Safety Information
UN 2810
R20/21/22
26-36/37/39
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
Computed Properties
Molecular Weight:179.24
XLogP3:3.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:179.04048508
Monoisotopic Mass:179.04048508
Topological Polar Surface Area:53.7
Heavy Atom Count:12
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Methoxy-2-methylphenyl isothiocyanate
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