(2E)-2,3,4-trichlorobut-2-enenitrile

HCID 5284496

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Basic information

Standard SMILES: N#C/C(Cl)=C(\Cl)CCl
InChIKey: PZPDGUVXHDIZCW-ONEGZZNKSA-N
Molecular formula: C4H2Cl3N
Average molar mass: 170.42 g/mol
Monoisotopic mass: 168.925282

Names & identifiers

Preferred name: (2E)-2,3,4-trichlorobut-2-enenitrile
IUPAC: (E)-2,3,4-trichlorobut-2-enenitrile

Names & synonyms

DTXSID5021675(2E)-2,3,4-trichlorobut-2-enenitrileRefChem:206389DTXCID401675NOCAS_21675PZPDGUVXHDIZCW-ONEGZZNKSA-Ntrans-2,3,4-Trichloro-2-butenenitriletrans-2,3,4-Trichloro-2-butene nitrile(2E)-2,3,4-Trichloro-2-butenenitrile #

Database identifiers

PubChem CID: 5284496
DTXSID: DTXSID5021675

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 152

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