Basic information
- CAS
215226-74-7- Standard SMILES
O=C(O)/C(Cl)=C(/CCl)C(=O)O- InChIKey
XCQFNBRZFLBACO-NSCUHMNNSA-N- Molecular formula
- C5H4Cl2O4
- Average molar mass
- 198.99 g/mol
- Monoisotopic mass
- 197.948664
Names & identifiers
- Preferred name
- (Z)-2-Chloro-3-(chloromethyl)-2-butenedioic acid
- IUPAC
- (Z)-2-chloro-3-(chloromethyl)but-2-enedioic acid
Names & synonyms
(Z)-2-Chloro-3-(chloromethyl)-2-butenedioic acid215226-74-7CCRIS 8233DTXSID901030752(2Z)-2-CHLORO-3-(CHLOROMETHYL)-2-BUTENEDIOIC ACID
Database identifiers
- CAS
215226-74-7- PubChem CID
- 3036734
- DTXSID
DTXSID901030752- Nikkaji
- J885.887J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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