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2,3-Dichloro-2-propenal

HCID 150516
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Basic information

CAS
26910-68-9
Standard SMILES
O=CC(Cl)=CCl
InChIKey
GRJXQFMIWNSCPF-UHFFFAOYSA-N
Molecular formula
C3H2Cl2O
Average molar mass
124.95 g/mol
Monoisotopic mass
123.94827004

Names & identifiers

Preferred name
2,3-Dichloro-2-propenal
IUPAC
2,3-dichloroprop-2-enal

Names & synonyms

2,3-Dichloro-2-propenal26910-68-92,3-dichloroacroleinSCHEMBL6069223SCHEMBL10941805GRJXQFMIWNSCPF-UHFFFAOYSA-NDTXSID701023078DB-355110

Database identifiers

CAS
26910-68-9
PubChem CID
150516
DTXSID
DTXSID701023078

Properties

Computed structural propertiesFilling in

XLogP
1.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
6
Formal charge
0
Complexity
76.9

Related reactions

2 records
New reaction record
HRID 1591252 reaction equation
HRID 1591252As reactantuspto-grants-1993_04
HRID 1591253 reaction equation
HRID 1591253As reactantuspto-grants-1993_04

Compound notes

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