Home Sulfos 5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-3-sulfonyl fluoride

5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-3-sulfonyl fluoride

CAS No.:
1623156-90-0
Catalog Number:
AG01EJ0I
Molecular Formula:
C4H4F4N2O2S
Molecular Weight:
220.1454
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Product Description
Catalog Number:
AG01EJ0I
Chemical Name:
5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-3-sulfonyl fluoride
CAS Number:
1623156-90-0
Molecular Formula:
C4H4F4N2O2S
Molecular Weight:
220.1454
MDL Number:
MFCD31666348
IUPAC Name:
5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-3-sulfonyl fluoride
InChI:
InChI=1S/C4H4F4N2O2S/c5-4(6,7)2-1-3(10-9-2)13(8,11)12/h2,9H,1H2
InChI Key:
WFJRRDOOWOJZSU-UHFFFAOYSA-N
SMILES:
FC(C1NN=C(C1)S(=O)(=O)F)(F)F
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.993g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.142g/mol
Monoisotopic Mass:
219.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties