SR-717 lithium

CAT: 0244-S0853-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0244-S0853-5mgSize:5 mg

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

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CAS Number

2375421-09-1

Chemical Information

SR-717 lithium

CAS Number	2375421-09-1
PubChem CID	139434658
IUPAC Name	lithium 4,5-difluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoate
Molecular Formula	C15H8F2LiN5O3
Molecular Weight	351.2
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	518

SMILES

[Li+].C1=CC(=NN=C1C(=O)NC2=CC(=C(C=C2C(=O)[O-])F)F)N3C=CN=C3

InChI

InChI=1S/C15H9F2N5O3.Li/c16-9-5-8(15(24)25)12(6-10(9)17)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22;/h1-7H,(H,19,23)(H,24,25);/q;+1/p-1

InChIKey

ODSAJRWPLSVEHJ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 2375421-09-1

CID: 139434658

Formula: C15H8F2LiN5O3

MW: 351.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	351.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	351.07552389
Monoisotopic Mass	351.07552389
Topological Polar Surface Area	113 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	518
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	2
Compound Is Canonicalized	Yes

Catalog	Name
E0153-1g	Lithium Chloride