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1,2,3,3-Tetrachloroprop-1-ene

HCID 30191
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
20589-85-9
Standard SMILES
ClC=C(Cl)C(Cl)Cl
InChIKey
JUGQRTGGLWOBPG-UHFFFAOYSA-N
Molecular formula
C3H2Cl4
Average molar mass
179.9 g/mol
Monoisotopic mass
177.891061

Names & identifiers

Preferred name
1,2,3,3-Tetrachloroprop-1-ene
IUPAC
1,2,3,3-tetrachloroprop-1-ene

Names & synonyms

1,2,3,3-Tetrachloroprop-1-ene1,2,3,3-tetrachloro-propeneSCHEMBL1614703SCHEMBL16987288DTXSID40871317JUGQRTGGLWOBPG-UHFFFAOYSA-NDB-045299NS00051387

Database identifiers

CAS
20589-85-9
PubChem CID
30191
DTXSID
DTXSID40871317

Properties

Computed structural propertiesFilling in

XLogP
2.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
7
Formal charge
0
Complexity
75

Related reactions

3 records
New reaction record
HRID 1105995 reaction equation
HRID 1105995As reactantuspto-grants-1982_01
HRID 1555137 reaction equation
HRID 1555137As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1701679 reaction equation
HRID 1701679As reactantuspto-grants-1980_03

Compound notes

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