Diflunisal 5000mg

CAT: 0628-A16166-5000Size: 5000 mgDry Ice: NoHazardous: No

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CAT#:0628-A16166-5000Size:5000 mg

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CAS Number

22494-42-4

Chemical Information

Diflunisal

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

CAS Number	22494-42-4
PubChem CID	3059
IUPAC Name	5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
Molecular Formula	C13H8F2O3
Molecular Weight	250.20
XLogP	4.4
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	311

SMILES

C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)O

InChI

InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)

InChIKey

HUPFGZXOMWLGNK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22494-42-4

CID: 3059

Formula: C13H8F2O3

MW: 250.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.20
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	250.04415044
Monoisotopic Mass	250.04415044
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	311
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
Compound Is Canonicalized	Yes

Catalog	Name
B6137-500	Diflunisal