Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
2,3-Dichloro-2-butenedioic acid
HCID
39398
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
CAS
43180-81-0
Standard SMILES
O=C(O)C(Cl)=C(Cl)C(=O)O
InChIKey
PNNFEYPWPCDLOC-UHFFFAOYSA-N
Molecular formula
C4H2Cl2O4
Average molar mass
184.96 g/mol
Monoisotopic mass
183.9330139
Names & identifiers
Preferred name
2,3-Dichloro-2-butenedioic acid
IUPAC
2,3-dichlorobut-2-enedioic acid
Names & synonyms
2,3-Dichloro-2-butenedioic acid
dichlorobutenedioic acid
SCHEMBL1250950
DTXSID101023313
Database identifiers
CAS
43180-81-0
PubChem CID
39398
DTXSID
DTXSID101023313
Properties
Computed structural properties
XLogP
1.2
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
185
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
2136228
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
Loading…