Flurbiprofen

CAT: 0127-BUP17087-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP17087-02Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

5104-49-4

Synonyms

Dl-Flurbiprofen

Purity

=98%

Smiles

CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1

Chemical Information

Flurbiprofen

Flurbiprofen can cause developmental toxicity and female reproductive toxicity according to state or federal government labeling requirements.

CAS Number	5104-49-4
PubChem CID	3394
IUPAC Name	2-(3-fluoro-4-phenylphenyl)propanoic acid
Molecular Formula	C15H13FO2
Molecular Weight	244.26
XLogP	4.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	286

SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O

InChI

InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)

InChIKey

SYTBZMRGLBWNTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5104-49-4

CID: 3394

Formula: C15H13FO2

MW: 244.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.26
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	244.08995782
Monoisotopic Mass	244.08995782
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	286
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
F036-5G	Flurbiprofen