Agn-PC-036F1O

HCID 628157

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Basic information

CAS: 55493-64-6
Standard SMILES: CC=C(C)C1=CC2(Cl)C(Cl)C(Cl)C1(Cl)C2(OC)OC
InChIKey: FKDDBMQLQHIRSL-UHFFFAOYSA-N
Molecular formula: C13H16Cl4O2
Average molar mass: 346.1 g/mol
Monoisotopic mass: 343.990441

Names & identifiers

Preferred name: Agn-PC-036F1O
IUPAC: 2-but-2-en-2-yl-1,4,5,6-tetrachloro-7,7-dimethoxybicyclo[2.2.1]hept-2-ene
English name: 1,4,5,6-Tetrachloro-7,7-dimethoxy-2-(1-methyl-1-propenyl)bicyclo[2.2.1]hept-2-ene
Molecular formula: C13H16Cl4O2
Molecular weight: 346.08

Names & synonyms

55493-64-6AGN-PC-036F1ODTXSID30347935DB-3010851,4,5,6-Tetrachloro-7,7-dimethoxy-2-(1-methyl-1-propenyl)bicyclo[2.2.1]hept-2-ene2-(but-2-en-2-yl)-1,4,5,6-tetrachloro-7,7-dimethoxybicyclo[2.2.1]hept-2-eneBicyclo[2.2.1]hept-2-ene, 1,4,5,6-tetrachloro-7,7-dimethoxy-2-(1-methyl-1-propen-1-yl)-

Database identifiers

CAS: 55493-64-6
PubChem CID: 628157
DTXSID: DTXSID30347935

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 458

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