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Flurbiprofen Axetil

CAT: 0024-sc-470965Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-470965Size:100 mg
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CAS Number
91503-79-6

Chemical Information

Flurbiprofen Axetil

Flurbiprofen axetil is an organic molecular entity.

CAS Number91503-79-6
PubChem CID3395
IUPAC Name1-acetyloxyethyl 2-(3-fluoro-4-phenylphenyl)propanoate
Molecular FormulaC19H19FO4
Molecular Weight330.3
XLogP4.9
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity433
SMILES
CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)OC(C)OC(=O)C
InChI
InChI=1S/C19H19FO4/c1-12(19(22)24-14(3)23-13(2)21)16-9-10-17(18(20)11-16)15-7-5-4-6-8-15/h4-12,14H,1-3H3
InChIKey
ALIVXCSEERJYHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flurbiprofen Axetil
CAS: 91503-79-6
CID: 3395
Formula: C19H19FO4
MW: 330.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight330.3
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass330.12673725
Monoisotopic Mass330.12673725
Topological Polar Surface Area52.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity433
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes