Home Other Building Blocks 4-(pentafluorosulfanyl)phenyl isocyanate

4-(pentafluorosulfanyl)phenyl isocyanate

CAS No.:
159689-43-7
Catalog Number:
AG01DVQK
Molecular Formula:
C7H4F5NOS
Molecular Weight:
245.1698
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Product Description
Catalog Number:
AG01DVQK
Chemical Name:
4-(pentafluorosulfanyl)phenyl isocyanate
CAS Number:
159689-43-7
Molecular Formula:
C7H4F5NOS
Molecular Weight:
245.1698
MDL Number:
MFCD28099770
IUPAC Name:
pentafluoro-(4-isocyanatophenyl)-λ6-sulfane
InChI:
InChI=1S/C7H4F5NOS/c8-15(9,10,11,12)7-3-1-6(2-4-7)13-5-14/h1-4H
InChI Key:
ZQIFUGCBLHVOBX-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)S(F)(F)(F)(F)F
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.993g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.167g/mol
Monoisotopic Mass:
244.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  
Properties