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Folpet

CAT: 0926-FF23542-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FF23542-02Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133-07-3
Synonyms
2-[ (Trichloromethyl) thio]-1H-isoindole-1,3 (2H) -dione
MDL Number
MFCD00047303
Smiles
C1=CC=C2C (=C1) C (=O) N (C2=O) SC (Cl) (Cl) Cl
Molecular Formula
C9H4Cl3NO2S
Molecular Weight
296.56 g/mol
Controlled
No

Chemical Information

Folpet

Folpet can cause cancer according to an independent committee of scientific and health experts.

CAS Number133-07-3
PubChem CID8607
IUPAC Name2-(trichloromethylsulfanyl)isoindole-1,3-dione
Molecular FormulaC9H4Cl3NO2S
Molecular Weight296.6
XLogP2.8
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity307
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl
InChI
InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
InChIKey
HKIOYBQGHSTUDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Folpet
CAS: 133-07-3
CID: 8607
Formula: C9H4Cl3NO2S
MW: 296.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.6
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass294.902833
Monoisotopic Mass294.902833
Topological Polar Surface Area62.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity307
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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