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1-Chloro-4-(4-chlorobutyl)benzene

HCID 20082732
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
ClCCCCc1ccc(Cl)cc1
InChIKey
KKLHXEZIZGHURP-UHFFFAOYSA-N
Molecular formula
C10H12Cl2
Average molar mass
203.1 g/mol
Monoisotopic mass
202.0316058

Names & identifiers

Preferred name
1-Chloro-4-(4-chlorobutyl)benzene
IUPAC
1-chloro-4-(4-chlorobutyl)benzene

Names & synonyms

1-chloro-4-(4-chlorobutyl)benzene90876-16-7SCHEMBL89721354-(4-chlorophenyl)butyl chlorideKKLHXEZIZGHURP-UHFFFAOYSA-NAKOS013837733EN300-6313616

Database identifiers

PubChem CID
20082732

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
106

Related reactions

14 records
New reaction record
HRID 4320 reaction equation
HRID 4320As reactantuspto-grants-1988_02
HRID 65247 reaction equation
HRID 65247As reactantuspto-grants-1986_09
HRID 65248 reaction equation
HRID 65248As reactantuspto-grants-1986_09
HRID 65249 reaction equation
HRID 65249As reactantuspto-grants-1986_09
HRID 65251 reaction equation
HRID 65251As reactantuspto-grants-1986_09
HRID 1380356 reaction equation
HRID 1380356As reactantuspto-grants-1986_04
HRID 1380358 reaction equation
HRID 1380358As reactantuspto-grants-1986_04
HRID 1380359 reaction equation
HRID 1380359As reactantuspto-grants-1986_04
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Compound notes

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