Cyclohexanebutanoicacid, 2,2,2-trichloroethyl ester 5432-70-2

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1 Gram	Negotiable

1 Gram

Negotiable

Min.Order :1 Gram
Purity: 99%
Payment Terms : L/C,T/T,

Keywords

Cyclohexanebutanoicacid, 2,2,2-trichloroethyl ester 5432-70-2 98%

Quick Details

Appearance:Solid
Application:Organic Chemicals
PackAge:as requested
ProductionCapacity:100|Kilogram|Month
Storage:room temperature
Transportation:as requested

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Details:

【Name】
Cyclohexanebutanoicacid, 2,2,2-trichloroethyl ester
【Iupac name】
2,2,2-trichloroethyl 4-cyclohexylbutanoate
【CAS Registry number】
5432-70-2
【Synonyms】
NSC 5967
【Molecular Formula】
C12H19 Cl3 O2 (Products with the same molecular formula)
【Molecular Weight】
301.6371
【Inchi】
InChI=1/C12H19Cl3O2/c13-12(14,15)9-17-11(16)8-4-7-10-5-2-1-3-6-10/h10H,1-9H2
【Canonical SMILES】
C1CCC(CC1)CCCC(=O)OCC(Cl)(Cl)Cl
Chemical and Physical Properties
【Density】
1.217g/cm3
【Boiling Point】
380.9°Cat760mmHg
【Refractive Index】
1.491
【Flash Point】
144°C
【Computed Properties】
Molecular Weight:301.63706 [g/mol]
Molecular Formula:C12H19Cl3O2
XLogP3-AA:5.5
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:6
Exact Mass:300.045063
MonoIsotopic Mass:300.045063
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Formal Charge:0
Complexity:232
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:8.2
Conformer Sampling RMSD:0.8
CID Conformer Count:255

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