N-(2,3,4,5,6-pentachlorophenyl)propanamide

HCID 255015

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Basic information

CAS: 26320-51-4
Standard SMILES: CCC(=O)Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIKey: OMSGEEQLINZZIK-UHFFFAOYSA-N
Molecular formula: C9H6Cl5NO
Average molar mass: 321.4 g/mol
Monoisotopic mass: 318.889202

Names & identifiers

Preferred name: N-(2,3,4,5,6-pentachlorophenyl)propanamide
IUPAC: N-(2,3,4,5,6-pentachlorophenyl)propanamide

Names & synonyms

26320-51-4n-(pentachlorophenyl)propanamideN-(2,3,4,5,6-pentachlorophenyl)propanamideNSC80164NCIOpen2_009195DTXSID50292054NSC-80164DS-012267Propanamide,n-(2,3,4,5,6-pentachlorophenyl)-

Database identifiers

CAS: 26320-51-4
PubChem CID: 255015
DTXSID: DTXSID50292054

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 248

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