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2,3-Dichloro-2-butenedioic acid

HCID 39398
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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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 aciddichlorobutenedioic acidSCHEMBL1250950DTXSID101023313

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

Related reactions

1 records
New reaction record
HRID 2136228 reaction equation
HRID 2136228As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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