3,5-Heptanedione,4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-(CAS No. 56219-57-9) CAS NO.56219-57-9

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Product Details

Keywords

3,5-Heptanedione,4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-
56219-57-9
98%

Quick Details

ProName: 3,5-Heptanedione,4-[6-(2-chloro-4-meth...
CasNo: 56219-57-9
Molecular Formula: C20H29 Cl O4
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

Name】
3,5-Heptanedione,4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-
【Iupac name】
4-[6-(2-chloro-4-methoxyphenoxy)hexyl]heptane-3,5-dione
【CAS Registry number】
56219-57-9
【Synonyms】
Arildone
NSC 222800
Win 38020
【EINECS(EC#)】
260-066-3
【Molecular Formula】
C20H29 Cl O4 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C20H29ClO4/c1-4-18(22)16(19(23)5-2)10-8-6-7-9-13-25-20-12-11-15(24-3)14-17(20)21/h11-12,14,16H,4-10,13H2,1-3H3
【Canonical SMILES】
CCC(=O)C(CCCCCCOC1=C(C=C(C=C1)OC)Cl)C(=O)CC
【MOL File】
56219-57-9.mol
Chemical and Physical Properties
【Density】
1.078g/cm3
【Boiling Point】
510.8°Cat760mmHg
【Refractive Index】
1.497
【Flash Point】
175.7°C
【Computed Properties】
Molecular Weight:368.89486 [g/mol]
Molecular Formula:C20H29ClO4
XLogP3-AA:5.2
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:13
Tautomer Count:5
Exact Mass:368.175437
MonoIsotopic Mass:368.175437
Topological Polar Surface Area:52.6
Heavy Atom Count:25
Formal Charge:0
Complexity:383
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:4
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:4
Feature 3D Ring Count:1
Effective Rotor Count:13
Conformer Sampling RMSD:1
CID Conformer Count:228

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