Basic information
- Standard SMILES
CCOC(=O)/C=C(\Cl)C(=O)OCC- InChIKey
VOEQTGMCAHZUNJ-WAYWQWQTSA-N- Molecular formula
- C8H11ClO4
- Average molar mass
- 206.62 g/mol
- Monoisotopic mass
- 206.03458651
Names & identifiers
- Preferred name
- 2-Butenedioic acid, 2-chloro-, diethyl ester, (Z)-
- IUPAC
- diethyl (Z)-2-chlorobut-2-enedioate
- English name
- ALPHA-CHLOROFUMARICACIDDIETHYLESTER
- Molecular formula
- C8H11ClO4
- Molecular weight
- 206.62
Names & synonyms
10302-94-02-Butenedioic acid, 2-chloro-, diethyl ester, (Z)-diethyl (Z)-2-chlorobut-2-enedioateALPHA-CHLOROFUMARICACIDDIETHYLESTERChlorofumaric acid diethyl esterDiethyl chlorofumarateNSC 296269AI3-08489ethyl monoethyl chlorofumarateSCHEMBL4109419chloro-fumaric acid diethyl esterDTXSID001030305
Show more names
Diethyl.alpha.-chlorofumarate(Z)-2-Chloro-2-butenedioic acid diethyl ester2-Butenedioic acid,2-chloro-,diethyl ester,(Z)-2-chloro-, diethyl ester, (Z)-2-Butenedioic acid2-Butenedioic acid, 2-chloro-, diethyl ester, (2Z)- (9CI)
NSC296269diethyl (2Z)-2-chloro-2-butenedioateNSC-296269
Database identifiers
- CAS
10302-94-0- PubChem CID
- 5359088
- DTXSID
DTXSID001030305- Nikkaji
- J2.375.888A、J38.899H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 296.74 °C · 296.74°C (rough estimate)
- Density
- 1.1754 · 1.1754
- refractive index
- 1.4571 · 1.4571 (estimate)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
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Linked notes
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