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30922-32-8 | 1H-Isoindole-1,3(2H)-dione, tetrahydro-2-[(trichloromethyl)thio]- (9CI)
CAS No: 30922-32-8 Catalog No: AG0031NY MDL No:
Product Description
Catalog Number:
AG0031NY
Chemical Name:
1H-Isoindole-1,3(2H)-dione, tetrahydro-2-[(trichloromethyl)thio]- (9CI)
CAS Number:
30922-32-8
Molecular Formula:
C9H8Cl3NO2S
Molecular Weight:
300.5893
IUPAC Name:
2-(trichloromethylsulfanyl)-3a,4,5,6-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h3,6H,1-2,4H2
InChI Key:
GOMTZSYWLVEQCW-UHFFFAOYSA-N
SMILES:
O=C1C2=CCCCC2C(=O)N1SC(Cl)(Cl)Cl
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.934g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.578g/mol
Monoisotopic Mass:
298.934g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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