Nurr1 agonist 8

CAT: 0127-BUP10275-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10275-01Size:10 mg

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CAS Number

360778-55-8

Purity

=98%

Smiles

OC(=O)C1=CC(OCC2=C(Cl)C=C(Cl)C=C2)=CC=C1

Chemical Information

3-[(2,4-Dichlorobenzyl)oxy]benzoic acid

CAS Number	360778-55-8
PubChem CID	961606
IUPAC Name	3-[(2,4-dichlorophenyl)methoxy]benzoic acid
Molecular Formula	C14H10Cl2O3
Molecular Weight	297.1
XLogP	4.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	311

SMILES

C1=CC(=CC(=C1)OCC2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C14H10Cl2O3/c15-11-5-4-10(13(16)7-11)8-19-12-3-1-2-9(6-12)14(17)18/h1-7H,8H2,(H,17,18)

InChIKey

HYYJRKVTWQOQRO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 360778-55-8

CID: 961606

Formula: C14H10Cl2O3

MW: 297.1

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.1
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	296.0006996
Monoisotopic Mass	296.0006996
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	311
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
BUP05311-01	Nurr1 agonist 2
BUP04805-01	Nurr1 agonist 7
BUP08956-01	TLR7/8 agonist 3
OR1023310-01	Tlr7/8 Agonist 1
BUP00856-01	TLR7/8 agonist 1
BUP20182-01	APJ receptor agonist 8
BUP04926-01	TLR7/8 agonist 1 dihydrochloride
BUP07357-01	STING agonist-30
BUP05360-01	FPR Agonist 43
BUP02893-01	C3a Receptor Agonist