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Folpet-d4

CAT: 1596-AR-F09419-04Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-F09419-04Size:150
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CAS Number
1327204-12-5
Synonyms
2-[ (Trichloromethyl) thio]-1H-isoindole-1,3 (2H) -dione-d4; Acryptane-d4; Cosan T-d4; Dipet-d4; Faltan-d4; Folnit-d4; Folpan-d4; Folpel-d4; Ftalan-d4; Fungitrol 11-d4; Intercide TMP-d4; N-[ (Trichloromethyl) thio]phthalimide-d4; Orthofaltan 50-d4
Molecular Formula
C9D4Cl3NO2S
Molecular Weight
300.58
API Name
Folpet

Chemical Information

4,5,6,7-Tetradeuterio-2-(trichloromethylsulfanyl)isoindole-1,3-dione
CAS Number1327204-12-5
PubChem CID71316766
IUPAC Name4,5,6,7-tetradeuterio-2-(trichloromethylsulfanyl)isoindole-1,3-dione
Molecular FormulaC9H4Cl3NO2S
Molecular Weight300.6
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
[2H]C1=C(C(=C2C(=C1[2H])C(=O)N(C2=O)SC(Cl)(Cl)Cl)[2H])[2H]
InChI
InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H/i1D,2D,3D,4D
InChIKey
HKIOYBQGHSTUDB-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of 4,5,6,7-Tetradeuterio-2-(trichloromethylsulfanyl)isoindole-1,3-dione
CAS: 1327204-12-5
CID: 71316766
Formula: C9H4Cl3NO2S
MW: 300.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.6
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass298.927940
Monoisotopic Mass298.927940
Topological Polar Surface Area62.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity307
Isotope Atom Count4
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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