Naphthalene, 1-cyclopropyl-4-isothiocyanato-


Chemical Name: Naphthalene, 1-cyclopropyl-4-isothiocyanato-
CAS Number: 878671-95-5
Product Number: AG00GRAV(AGN-PC-0BEIPY)
Synonyms:
MDL No:
Molecular Formula: C14H11NS
Molecular Weight: 225.3088

Identification/Properties


Computed Properties
Molecular Weight:
225.309g/mol
XLogP3:
5.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
225.061g/mol
Monoisotopic Mass:
225.061g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
304
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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NMR Spectrum


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