3-Bromobenzyl isothiocyanate
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3-Bromobenzyl isothiocyanate
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CAS No:
3845-33-8
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Formula:
C8H6BrNS
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Chemical Name:
3-Bromobenzyl isothiocyanate
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Synonyms:
1-bromo-3-(isothiocyanatomethyl)benzene;3-bromobenzyl isothiocyanate;SCHEMBL2338356;CTK1B4866;DTXSID80443113;AKOS010670523;Benzene, 1-bromo-3-(isothiocyanatomethyl)-
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CAS No:
Computed Properties
Molecular Weight:228.11
XLogP3:4.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:226.94043
Monoisotopic Mass:226.94043
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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