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


Chemical Name: Benzene, 1-fluoro-2-isothiocyanato-4-(trifluoromethyl)-
CAS Number: 302912-40-9
Product Number: AG00BH1N(AGN-PC-0KTVQ4)
Synonyms:
MDL No:
Molecular Formula: C8H3F4NS
Molecular Weight: 221.1747328

Identification/Properties


Computed Properties
Molecular Weight:
221.173g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
220.992g/mol
Monoisotopic Mass:
220.992g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
246
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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