AGN 194078 5mg

CAT: 0628-A20387-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A20387-5Size:5 mg

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CAS Number

321995-62-4

Chemical Information

2,6-Difluoro-4-[(3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-benzoic acid

CAS Number	321995-62-4
PubChem CID	9865875
IUPAC Name	2,6-difluoro-4-[(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
Molecular Formula	C22H23F2NO4
Molecular Weight	403.4
XLogP	5.8
Topological Polar Surface Area	86.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	641

SMILES

CC1(CCC(C2=C1C=C(C(=C2)O)C(=O)NC3=CC(=C(C(=C3)F)C(=O)O)F)(C)C)C

InChI

InChI=1S/C22H23F2NO4/c1-21(2)5-6-22(3,4)14-10-17(26)12(9-13(14)21)19(27)25-11-7-15(23)18(20(28)29)16(24)8-11/h7-10,26H,5-6H2,1-4H3,(H,25,27)(H,28,29)

InChIKey

BCKLKOYFMACAMZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 321995-62-4

CID: 9865875

Formula: C22H23F2NO4

MW: 403.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	403.4
XLogP3	5.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	403.15951454
Monoisotopic Mass	403.15951454
Topological Polar Surface Area	86.6 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	641
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
HY-100273-01	AGN 194078
HY-100273R	AGN 194078 (Standard)