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Bayleton BCF

HCID 185181
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Basic information

CAS
92459-33-1
Standard SMILES
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1.COC(=O)Nc1nc2ccccc2[nH]1.O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl
InChIKey
QRLULYOZBVMKIO-UHFFFAOYSA-N
Molecular formula
C33H34Cl5N7O6S
Average molar mass
834 g/mol
Monoisotopic mass
831.073391

Names & identifiers

Preferred name
Bayleton BCF
IUPAC
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one;methyl N-(1H-benzimidazol-2-yl)carbamate;2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Names & synonyms

Bayleton BCFBAY-UK 08792459-33-1Captafol / Carbendazim / TriadimefonCarbendazim-Triadimefon-captafol mixt.Carbamic acid, 1H-benzimidazol-2-yl-, methyl ester, mixt. with 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone and 3a,4,7,7a-tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione

Database identifiers

CAS
92459-33-1
PubChem CID
185181

Properties

Computed structural properties

Topological polar surface area
187 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
52
Formal charge
0
Complexity
947

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Compound notes

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