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719-98-2 | N-(Trifluoromethylthio)phthalimide
CAS No: 719-98-2 Catalog No: AG003ACB MDL No:MFCD18449627
Product Description
Catalog Number:
AG003ACB
Chemical Name:
N-(Trifluoromethylthio)phthalimide
CAS Number:
719-98-2
Molecular Formula:
C9H4F3NO2S
Molecular Weight:
247.1938
MDL Number:
MFCD18449627
IUPAC Name:
2-(trifluoromethylsulfanyl)isoindole-1,3-dione
InChI:
InChI=1S/C9H4F3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
InChI Key:
CFNSRIIHFLPQCE-UHFFFAOYSA-N
SMILES:
FC(SN1C(=O)c2c(C1=O)cccc2)(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:
246.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.191g/mol
Monoisotopic Mass:
246.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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