Home Other Building Blocks (2-fluorophenyl)(imino)(trifluoromethyl)-lambda6-sulfanone

(2-fluorophenyl)(imino)(trifluoromethyl)-lambda6-sulfanone

CAS No.:
2014396-13-3
Catalog Number:
AG01EIO3
Molecular Formula:
C7H5F4NOS
Molecular Weight:
227.1793
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Product Description
Catalog Number:
AG01EIO3
Chemical Name:
(2-fluorophenyl)(imino)(trifluoromethyl)-lambda6-sulfanone
CAS Number:
2014396-13-3
Molecular Formula:
C7H5F4NOS
Molecular Weight:
227.1793
MDL Number:
MFCD31666793
IUPAC Name:
(2-fluorophenyl)-imino-oxo-(trifluoromethyl)-λ6-sulfane
InChI:
InChI=1S/C7H5F4NOS/c8-5-3-1-2-4-6(5)14(12,13)7(9,10)11/h1-4,12H
InChI Key:
VVXFXAJJCRVHEH-UHFFFAOYSA-N
SMILES:
Fc1ccccc1S(=O)(=N)C(F)(F)F
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.003g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.177g/mol
Monoisotopic Mass:
227.003g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties