Carboxymefloquine

CAT: 0024-sc-207409ASize: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-207409ASize:50 mg

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CAS Number

35853-50-0

Chemical Information

Mefloquine carboxylic acid

2,8-bis-Trifluoromethyl-4-quinoline carboxylic acid is a member of quinolines.

CAS Number	35853-50-0
PubChem CID	169721
IUPAC Name	2,8-bis(trifluoromethyl)quinoline-4-carboxylic acid
Molecular Formula	C12H5F6NO2
Molecular Weight	309.16
XLogP	3.5
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	408

SMILES

C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H5F6NO2/c13-11(14,15)7-3-1-2-5-6(10(20)21)4-8(12(16,17)18)19-9(5)7/h1-4H,(H,20,21)

InChIKey

QJTJIQBSZLFWFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35853-50-0

CID: 169721

Formula: C12H5F6NO2

MW: 309.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.16
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	1
Exact Mass	309.02244737
Monoisotopic Mass	309.02244737
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	408
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
TRC-C178700-5MG	Carboxymefloquine
TRC-C178702-1MG	Carboxymefloquine-d3
MBS6088588-01	Carboxymefloquine ((2,8-Bis(trifluoromethyl)-4-quinolinecarboxylic Acid))
C1150-02G	Carboxymefloquine ((2,8-Bis (trifluoromethyl) -4-quinolinecarboxylic Acid) _x000B_)