4-bromobenzoyl isothiocyanate
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4-bromobenzoyl isothiocyanate
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CAS No:
66090-34-4
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Formula:
C8H4BrNOS
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Chemical Name:
4-bromobenzoyl isothiocyanate
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Synonyms:
4-bromobenzoyl isothiocyanate;66090-34-4;NSC56449;4-bromo-N-(sulfanylidenemethylidene)benzamide;p-bromobenzoylisothiocyanate;4-bromobenzoyl-isothiocyanate;SCHEMBL2318580;DTXSID70288535;ZINC1686924;NSC-56449;AKOS009031273;4-Bromo-1-benzenecarbonyl isothiocyanate
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CAS No:
Safety Information
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P342+P311, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:242.09
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:240.91970
Monoisotopic Mass:240.91970
Topological Polar Surface Area:61.5
Heavy Atom Count:12
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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