GNE-0946 1mg

CAT: 0628-A20782-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A20782-1Size:1 mg

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CAS Number

1677667-24-1

Chemical Information

4-[3-[2-Chloro-6-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid

CAS Number	1677667-24-1
PubChem CID	91664317
IUPAC Name	4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid
Molecular Formula	C22H12ClF3N2O4
Molecular Weight	460.8
XLogP	6.4
Topological Polar Surface Area	91.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	724

SMILES

C1=CC2=C(N=C(N2C=C1)C(=O)C3=C(C=CC=C3Cl)C(F)(F)F)C4=CC(=C(C=C4)C(=O)O)O

InChI

InChI=1S/C22H12ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h1-10,29H,(H,31,32)

InChIKey

UAAUZNSONHHQQI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1677667-24-1

CID: 91664317

Formula: C22H12ClF3N2O4

MW: 460.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	460.8
XLogP3	6.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	460.0437690
Monoisotopic Mass	460.0437690
Topological Polar Surface Area	91.9 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	724
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