Basic information
- CAS
617-43-6- Standard SMILES
O=C(O)/C=C(/Cl)C(=O)O- InChIKey
ZQHJVIHCDHJVII-OWOJBTEDSA-N- Molecular formula
- C4H3ClO4
- Average molar mass
- 150.52 g/mol
- Monoisotopic mass
- 149.9719863
Names & identifiers
- Preferred name
- 2-Chlorofumaric acid
- IUPAC
- (E)-2-chlorobut-2-enedioic acid
Names & synonyms
617-43-6RefChem:865012-Chlorofumaric acidchloromaleic acid2-Butenedioic acid, 2-chloro-, (E)-(2E)-2-Chloro-2-butenedioic acidNSC-408866NSC 408866SCHEMBL15797372DX2U4U9MZQHJVIHCDHJVII-OWOJBTEDSA-NDTXSID301023226
Database identifiers
- CAS
617-43-6- PubChem CID
- 6436629
- DTXSID
DTXSID301023226- UNII
- 72DX2U4U9M
- Nikkaji
- J1.668C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Butenedioic acid, 2-chloro-, (E)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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