3,4,4,4-Tetrachloro-2-butenoic acid

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Basic information

CAS: 88982-93-8
Standard SMILES: O=C(O)C=C(Cl)C(Cl)(Cl)Cl
InChIKey: FNCZSFIKXGUZMW-UHFFFAOYSA-N
Molecular formula: C4H2Cl4O2
Average molar mass: 223.9 g/mol
Monoisotopic mass: 221.88089

Overview

See also: Cis-3,4,4,4-tetrachlorocrotonic acid (annotation moved to).

Names & identifiers

Preferred name: 3,4,4,4-Tetrachloro-2-butenoic acid
IUPAC: 3,4,4,4-tetrachlorobut-2-enoic acid

Names & synonyms

3,4,4,4-tetrachloro-2-butenoic acidRefChem:48564888982-93-83,4,4,4-tetrachlorobut-2-enoic Acid2-Butenoic acid, 3,4,4,4-tetrachloro-SCHEMBL11269360DTXSID60402687AKOS024340148

Database identifiers

CAS: 88982-93-8
PubChem CID: 4384085
DTXSID: DTXSID60402687

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 169

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Compound notes

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