STL1267

CAT: 0957-E6698-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0957-E6698-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

REV-ERB

CAS Number

1429024-58-7

Molecular Formula

C17H11ClN4O 17114

Chemical Information

6-([1,1'-Biphenyl]-2-yloxy)-3-chloro-[1,2,4]triazolo[4,3-b]pyridazine

CAS Number	1429024-58-7
PubChem CID	89479714
IUPAC Name	3-chloro-6-(2-phenylphenoxy)-[1,2,4]triazolo[4,3-b]pyridazine
Molecular Formula	C17H11ClN4O
Molecular Weight	322.7
XLogP	4.2
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	393

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2OC3=NN4C(=NN=C4Cl)C=C3

InChI

InChI=1S/C17H11ClN4O/c18-17-20-19-15-10-11-16(21-22(15)17)23-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H

InChIKey

XWHTYUYQMHCFMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1429024-58-7

CID: 89479714

Formula: C17H11ClN4O

MW: 322.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.7
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	322.0621387
Monoisotopic Mass	322.0621387
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	393
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
C21544-1g	STL1267