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5,5'-(2,2,2-Trichloroethane-1,1-diyl)di-1,2,3,4-tetrahydronaphthalene

HCID 45577
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Basic information

CAS
63938-36-3
Standard SMILES
ClC(Cl)(Cl)C(c1cccc2c1CCCC2)c1cccc2c1CCCC2
InChIKey
IUORRZGMWWQCRF-UHFFFAOYSA-N
Molecular formula
C22H23Cl3
Average molar mass
393.8 g/mol
Monoisotopic mass
392.086534

Names & identifiers

Preferred name
5,5'-(2,2,2-Trichloroethane-1,1-diyl)di-1,2,3,4-tetrahydronaphthalene
IUPAC
5-[2,2,2-trichloro-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene

Names & synonyms

63938-36-3DTXSID809812275,5'-(2,2,2-trichloroethane-1,1-diyl)di-1,2,3,4-tetrahydronaphthaleneRefChem:1072109DTXCID801408499ETHANE, 2,2-BIS(5,6,7,8-TETRAHYDRONAPHTHYL)-1,1,1-TRICHLORO-BRN 34557142,2-Bis(2,3-cyclohexylphenyl)-1,1,1-trichloroethane3-05-00-02222 (Beilstein Handbook Reference)

Database identifiers

CAS
63938-36-3
PubChem CID
45577
DTXSID
DTXSID80981227
Nikkaji
J73.787I

Properties

Computed structural properties

XLogP
8.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
25
Formal charge
0
Complexity
409

Related reactions

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Compound notes

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