Bicyclo[2.2.1]heptane, 2-isothiocyanato-


Chemical Name: Bicyclo[2.2.1]heptane, 2-isothiocyanato-
CAS Number: 14370-23-1
Product Number: AG001I7F(AGN-PC-00HMRD)
Synonyms:
MDL No:
Molecular Formula: C8H11NS
Molecular Weight: 153.2446

Identification/Properties


Computed Properties
Molecular Weight:
153.243g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
153.061g/mol
Monoisotopic Mass:
153.061g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
184
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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