Ufenamate 100mg

CAT: 0628-A17573-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A17573-100Size:100 mg

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CAS Number

67330-25-0

Chemical Information

Ufenamate

Ufenamate is an organic molecular entity.

CAS Number	67330-25-0
PubChem CID	5632
IUPAC Name	butyl 2-[3-(trifluoromethyl)anilino]benzoate
Molecular Formula	C18H18F3NO2
Molecular Weight	337.3
XLogP	6.8
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	400

SMILES

CCCCOC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H18F3NO2/c1-2-3-11-24-17(23)15-9-4-5-10-16(15)22-14-8-6-7-13(12-14)18(19,20)21/h4-10,12,22H,2-3,11H2,1H3

InChIKey

JDLSRXWHEBFHNC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67330-25-0

CID: 5632

Formula: C18H18F3NO2

MW: 337.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.3
XLogP3	6.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	337.12896330
Monoisotopic Mass	337.12896330
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	400
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