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1-Chloro-4-[3-chloro-1-(1-methylethoxy)propyl]benzene

HCID 97940
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Basic information

CAS
6940-88-1
Standard SMILES
CC(C)OC(CCCl)c1ccc(Cl)cc1
InChIKey
KBQWSWLWXZTIKB-UHFFFAOYSA-N
Molecular formula
C12H16Cl2O
Average molar mass
247.16 g/mol
Monoisotopic mass
246.0578205

Names & identifiers

Preferred name
1-Chloro-4-[3-chloro-1-(1-methylethoxy)propyl]benzene
IUPAC
1-chloro-4-(3-chloro-1-propan-2-yloxypropyl)benzene
English name
1-chloro-4-[3-chloro-1-(1-methylethoxy)propyl]benzene
Molecular formula
C12H16Cl2O
Molecular weight
247.16084

Names & synonyms

6940-88-11-CHLORO-4-[3-CHLORO-1-(1-METHYLETHOXY)PROPYL]BENZENEEINECS 230-094-0NSC 604121-Chloro-4-(3-chloro-1-(1-methylethoxy)propyl)benzeneRefChem:75405230-094-0NSC60412KBQWSWLWXZTIKB-UHFFFAOYSA-NDTXSID401213521NSC-60412NS00043827
Show more names
1-chloro-4-(3-chloro-1-propan-2-yloxypropyl)benzene
1-Chloro-4-{3-chloro-1-[(propan-2-yl)oxy]propyl}benzene

Database identifiers

CAS
6940-88-1
PubChem CID
97940
DTXSID
DTXSID401213521
EC Number
230-094-0
Nikkaji
J265.976J

Properties

Computed structural properties

XLogP
4
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
165

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