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1-(Chloromethyl)-2-(3-chloropropyl)benzene

HCID 12373990
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
65349-63-5
Standard SMILES
ClCCCc1ccccc1CCl
InChIKey
NJOKEOCKKQCATL-UHFFFAOYSA-N
Molecular formula
C10H12Cl2
Average molar mass
203.1 g/mol
Monoisotopic mass
202.0316058

Names & identifiers

Preferred name
1-(Chloromethyl)-2-(3-chloropropyl)benzene
IUPAC
1-(chloromethyl)-2-(3-chloropropyl)benzene

Names & synonyms

1-(Chloromethyl)-2-(3-chloropropyl)benzene65349-63-5DTXSID90494979RefChem:226336DTXCID904457892-(3-chloropropyl)benzyl chloride3-(2-Chloromethylphenyl)-propyl chlorideSCHEMBL10505751NJOKEOCKKQCATL-UHFFFAOYSA-N2-(3-chloropropyl)-benzyl chloride(o-chloromethylphenyl)propyl chloride2-(3-chloro propyl)-benzyl chloride
Show more names
o-(chloro-methyl)phenylpropyl chloride

Database identifiers

CAS
65349-63-5
PubChem CID
12373990
DTXSID
DTXSID90494979

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
114

Related reactions

19 records
New reaction record
HRID 91802 reaction equation
HRID 91802As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 108546 reaction equation
HRID 108546As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 212968 reaction equation
HRID 212968As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 836555 reaction equation
HRID 836555As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 839727 reaction equation
HRID 839727As reactantuspto-grants-1978_06
HRID 839730 reaction equation
HRID 839730As reactantuspto-grants-1978_06
HRID 839838 reaction equation
HRID 839838As reactantuspto-grants-1978_06
HRID 839873 reaction equation
HRID 839873As reactantuspto-grants-1978_06
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Compound notes

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