Benzene, 1-(chloromethyl)-4-(3-chloropropyl)-

HCID 155255

Notes Reactions

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Basic information

CAS: 69156-39-4
Standard SMILES: ClCCCc1ccc(CCl)cc1
InChIKey: QKHASKRXLOXBFY-UHFFFAOYSA-N
Molecular formula: C10H12Cl2
Average molar mass: 203.1 g/mol
Monoisotopic mass: 202.0316058

Names & identifiers

Preferred name: Benzene, 1-(chloromethyl)-4-(3-chloropropyl)-
IUPAC: 1-(chloromethyl)-4-(3-chloropropyl)benzene

Names & synonyms

69156-39-4Benzene, 1-(chloromethyl)-4-(3-chloropropyl)-DTXSID30219209RefChem:323607DTXCID001417001-(chloromethyl)-4-(3-chloropropyl)benzeneSCHEMBL9190069QKHASKRXLOXBFY-UHFFFAOYSA-N1-(4-chloromethylphenyl)3-chloropropane

Database identifiers

CAS: 69156-39-4
PubChem CID: 155255
DTXSID: DTXSID30219209

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 106

Related reactions

2 records

New reaction record

HRID 695652As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 893268As reactantuspto-grants-1992_06

Compound notes

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