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2799-73-7

2799-73-7 structural image
Product Name: 3-BROMOPROPYL ISOTHIOCYANATE
Formula: C4H6BrNS
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COMPUTED DESCRIPTORS

Molecular Weight 180.07 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 178.94043 g/mol
Monoisotopic Mass 178.94043 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 77.8
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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