Flufenamic Acid-d4

CAT: 1596-AR-F10286-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F10286-02Size:25 Units

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CAS Number

1185071-99-1

Synonyms

2- ((3- (trifluoromethyl) phenyl) amino) benzoic-3,4,5,6-d4 acid

Molecular Formula

C14H6D4F3NO2

Molecular Weight

285.26

API Name

Flufenamic acid

Chemical Information

Flufenamic Acid-d4

CAS Number	1185071-99-1
PubChem CID	46781596
IUPAC Name	2,3,4,5-tetradeuterio-6-[3-(trifluoromethyl)anilino]benzoic acid
Molecular Formula	C14H10F3NO2
Molecular Weight	285.25
XLogP	5.2
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	346

SMILES

[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)NC2=CC=CC(=C2)C(F)(F)F)[2H])[2H]

InChI

InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)/i1D,2D,6D,7D

InChIKey

LPEPZBJOKDYZAD-ZEJCXXMWSA-N

Chemical Structure

2D Structure

CAS: 1185071-99-1

CID: 46781596

Formula: C14H10F3NO2

MW: 285.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.25
XLogP3	5.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	285.09147003
Monoisotopic Mass	285.09147003
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	346
Isotope Atom Count	4
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
AR-F01645-01	Flufenamic Acid
AR-F10287-01	N-Nitroso Flufenamic Acid
AR-F09712-01	Docosanoic Acid-d4 (Behenic Acid-d4)
AR-C02625-01	Tauroursodeoxycholic-d4 Acid (Tauroursodiol-d4)
AR-A02672-01	Acetylsalicylic Acid-d4 (Aspirin-d4)
AR-F10724-01	Folinic Acid-d4 (Leucovorin-d4)
AR-F01966-01	Folinic Acid-d4 (Leucovorin-d4)
AR-I01645-01	Ioxitalamic Acid-d4
AR-C02640-01	Taurodeoxycholic-d4 Acid
AR-A03241-01	Acetic Acid-d4

Catalog	Name
KXB07199-01	Flufenamic acid-d4
T0858-01	Flufenamic acid