3-(4-fluorophenyl)-2,2,4-trimethyl-2H-chromen-7-yl acetate 5218-91-7 CAS NO.5218-91-7

Min.Order Quantity:: 1 Gram

Purity:: 98% min

Port:: SHANGHAI

Payment Terms:: L/C,T/T,

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Product Details

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

ProName: 3-(4-fluorophenyl)-2,2,4-trimethyl-2H-...
CasNo: 5218-91-7
Molecular Formula: C20H19FO3
Appearance: Liquid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 98% min
Storage: Room Temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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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