Home Halogens 1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-

1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-

CAS No.:
133-07-3
Catalog Number:
AG0011HL
Molecular Formula:
C9H4Cl3NO2S
Molecular Weight:
296.5576
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Product Description
Catalog Number:
AG0011HL
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-
CAS Number:
133-07-3
Molecular Formula:
C9H4Cl3NO2S
Molecular Weight:
296.5576
MDL Number:
MFCD00047303
IUPAC Name:
2-(trichloromethylsulfanyl)isoindole-1,3-dione
InChI:
InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
InChI Key:
HKIOYBQGHSTUDB-UHFFFAOYSA-N
SMILES:
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl
EC Number:
205-088-6
UNII:
X5NFK36917
RTECS Number:
TI5685000
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.903g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.546g/mol
Monoisotopic Mass:
294.903g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
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