3-(4-fluorophenyl)-...

3-(4-fluorophenyl)-2,2,4-trimethyl-2H-chromen-7-yl acetate 5218-91-7

3-(4-fluorophenyl)-2,2,4-trimethyl-2H-chromen-7-yl acetate 5218-91-7

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 98% min
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Keywords

2H-1-Benzopyran-7-ol,3-(4-fluorophenyl)-2,2,4-trimethyl-, 7-acetate 3-(4-fluorophenyl)-2,2,4-trimethyl-2H-chromen-7-yl acetate 5218-91-7

Quick Details

  • Appearance:Liquid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
2H-1-Benzopyran-7-ol,3-(4-fluorophenyl)-2,2,4-trimethyl-, 7-acetate
【Iupac name】
[3-(4-fluorophenyl)-2,2,4-trimethylchromen-7-yl] acetate
【CAS Registry number】
5218-91-7
【Synonyms】
2H-1-Benzopyran-7-ol,3-(p-fluorophenyl)-2,2,4-trimethyl-, acetate (7CI,8CI)
NSC 80625
【Molecular Formula】
C20H19 F O3 (Products with the same molecular formula)
【Molecular Weight】
326.3615
【Inchi】
InChI=1/C20H19FO3/c1-12-17-10-9-16(23-13(2)22)11-18(17)24-20(3,4)19(12)14-5-7-15(21)8-6-14/h5-11H,1-4H3
【Canonical SMILES】
CC1=C(C(OC2=C1C=CC(=C2)OC(=O)C)(C)C)C3=CC=C(C=C3)F
Chemical and Physical Properties
【Density】
1.161g/cm3
【Boiling Point】
420.7°Cat760mmHg
【Refractive Index】
1.549
【Flash Point】
200.9°C
【Computed Properties】
Molecular Weight:326.361463 [g/mol]
Molecular Formula:C20H19FO3
XLogP3-AA:3.8
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:3
Exact Mass:326.131823
MonoIsotopic Mass:326.131823
Topological Polar Surface Area:35.5
Heavy Atom Count:24
Formal Charge:0
Complexity:517
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:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3.4
Conformer Sampling RMSD:0.6
CID Conformer Count:8

 

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