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3,5-Difluorophenyl acetate

CAT: 0127-PC301027-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC301027-01Size:1 g
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CAS Number
315690-94-9
MDL Number
MFCD25977412
Purity
=95%
Smiles
CC(=O)Oc1cc(F)cc(F)c1

Chemical Information

3,5-Difluorophenyl acetate
CAS Number315690-94-9
PubChem CID19086525
IUPAC Name(3,5-difluorophenyl) acetate
Molecular FormulaC8H6F2O2
Molecular Weight172.13
XLogP1.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
CC(=O)OC1=CC(=CC(=C1)F)F
InChI
InChI=1S/C8H6F2O2/c1-5(11)12-8-3-6(9)2-7(10)4-8/h2-4H,1H3
InChIKey
BYZBCKQMMCRZDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Difluorophenyl acetate
CAS: 315690-94-9
CID: 19086525
Formula: C8H6F2O2
MW: 172.13
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.13
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass172.03358575
Monoisotopic Mass172.03358575
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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PC7829-015- (3,5-Difluorophenyl) isoxazole
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Alternative Products

CatalogName
FE81115Ethyl (3,5-Difluorophenyl) Acetate
454564-01Methyl (2,3-difluorophenyl) acetate
HXA79860-01Methyl 2-bromo-2- (3,5-difluorophenyl) acetate
XSC76269-01Methyl 2-chloro-2- (3,5-difluorophenyl) acetate
CIA00091-01Ethyl 2-cyano-2- (3,5-difluorophenyl) acetate
SGA48438-01Methyl 2- (2,5-difluorophenyl) acetate
BBD84400-01Methyl 2-[ (2,5-difluorophenyl) carbamoyl]acetate
GTR19252689-012,4-Difluorophenyl acetate
sc-286162Methyl (4-Amino-2,3-difluorophenyl) acetate
HXC04078-01Methyl 2- (4-bromo-2,3-difluorophenyl) acetate

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