Benzene, 1-chloro-2-isothiocyanato-4-(trifluoromethyl)-


Chemical Name: Benzene, 1-chloro-2-isothiocyanato-4-(trifluoromethyl)-
CAS Number: 23165-49-3
Product Number: AG002MG5(AGN-PC-0JMRPH)
Synonyms:
MDL No:
Molecular Formula: C8H3ClF3NS
Molecular Weight: 237.6293

Identification/Properties


Computed Properties
Molecular Weight:
237.624g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
236.963g/mol
Monoisotopic Mass:
236.963g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
250
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

Safety Information


NMR Spectrum


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