Cyclooctyl isothiocyanate
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Cyclooctyl isothiocyanate
structure -
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CAS No:
33522-04-2
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Formula:
C9H15NS
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Chemical Name:
Cyclooctyl isothiocyanate
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Synonyms:
Cyclooctane,isothiocyanato-;Isothiocyanic acid,cyclooctyl ester;Isothiocyanatocyclooctane;Cyclooctyl isothiocyanate
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CAS No:
Safety Information
II
6.1
2810
20/21/22-36/37/38
26-36/37/39
P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
Computed Properties
Molecular Weight:169.29
XLogP3:4.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:169.09252066
Monoisotopic Mass:169.09252066
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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