Home Sulfos 4-(trifluoromethylsulfonyl)phenylisocyanate

4-(trifluoromethylsulfonyl)phenylisocyanate

CAS No.:
55226-16-9
Catalog Number:
AG01E79K
Molecular Formula:
C8H4F3NO3S
Molecular Weight:
251.1825
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Product Description
Catalog Number:
AG01E79K
Chemical Name:
4-(trifluoromethylsulfonyl)phenylisocyanate
CAS Number:
55226-16-9
Molecular Formula:
C8H4F3NO3S
Molecular Weight:
251.1825
MDL Number:
MFCD25460326
IUPAC Name:
1-isocyanato-4-(trifluoromethylsulfonyl)benzene
InChI:
InChI=1S/C8H4F3NO3S/c9-8(10,11)16(14,15)7-3-1-6(2-4-7)12-5-13/h1-4H
InChI Key:
NCQGDHKDNABQIX-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)S(=O)(=O)C(F)(F)F
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.986g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.179g/mol
Monoisotopic Mass:
250.986g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties