KX-01-191 100mg

CAT: 0628-A19116-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A19116-100Size:100 mg

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

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CAS Number

2211903-84-1

Chemical Information

CID 138911352

CAS Number	2211903-84-1
PubChem CID	138911352
IUPAC Name	2-(4-tributylstannylphenyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
Molecular Formula	C28H39N3OSn
Molecular Weight	552.3
Topological Polar Surface Area	46.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	11
Heavy Atom Count	33
Formal Charge	0
Complexity	598

SMILES

CCCC[Sn](CCCC)(CCCC)C1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2CCNC4=O

InChI

InChI=1S/C16H12N3O.3C4H9.Sn/c20-16-12-7-4-8-13-14(12)19(10-9-17-16)15(18-13)11-5-2-1-3-6-11;3*1-3-4-2;/h2-8H,9-10H2,(H,17,20);3*1,3-4H2,2H3;

InChIKey

AOQSHPQTNVDAAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2211903-84-1

CID: 138911352

Formula: C28H39N3OSn

MW: 552.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	552.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	11
Exact Mass	553.211515
Monoisotopic Mass	553.211515
Topological Polar Surface Area	46.9 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	598
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