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4-Chloro-2-(dichloromethyl)-8-methylquinoline (HCID 23313787)|Huagongshe
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Compound
4-Chloro-2-(dichloromethyl)-8-methylquinoline
HCID
23313787
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Basic information
Standard SMILES
Cc1cccc2c(Cl)cc(C(Cl)Cl)nc12
InChIKey
DNBGFOZMLPAFLH-UHFFFAOYSA-N
Molecular formula
C11H8Cl3N
Average molar mass
260.5 g/mol
Monoisotopic mass
258.972232
Names & identifiers
Preferred name
4-Chloro-2-(dichloromethyl)-8-methylquinoline
IUPAC
4-chloro-2-(dichloromethyl)-8-methylquinoline
Names & synonyms
SCHEMBL9494050
Database identifiers
PubChem CID
23313787
Properties
Computed structural properties
XLogP
4.3
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
222
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Related reactions
1 records
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As solvent
HRID
2330578
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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