Home Other Building Blocks 4-(TRIFLUOROMETHYLTHIO)PHENYL ISOCYANATE

4-(TRIFLUOROMETHYLTHIO)PHENYL ISOCYANATE

CAS No.:
24032-84-6
Catalog Number:
AG003KCB
Molecular Formula:
C8H4F3NOS
Molecular Weight:
219.1837
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Product Description
Catalog Number:
AG003KCB
Chemical Name:
4-(TRIFLUOROMETHYLTHIO)PHENYL ISOCYANATE
CAS Number:
24032-84-6
Molecular Formula:
C8H4F3NOS
Molecular Weight:
219.1837
MDL Number:
MFCD00036025
IUPAC Name:
1-isocyanato-4-(trifluoromethylsulfanyl)benzene
InChI:
InChI=1S/C8H4F3NOS/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H
InChI Key:
NYQSIHZNEJCZKX-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)SC(F)(F)F
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.997g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.181g/mol
Monoisotopic Mass:
218.997g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties