Thalidomide-iodo

CAT: 0127-OR1041177-03Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1041177-03Size:1 g

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CAS Number

2509137-01-1

MDL Number

MFCD31735039

Purity

98%

Smiles

O=C1C2=CC=C(C=C2C(N1C3C(NC(CC3)=O)=O)=O)I

Chemical Information

2-(2,6-Dioxopiperidin-3-yl)-5-iodoisoindoline-1,3-dione

CAS Number	2509137-01-1
PubChem CID	147266066
IUPAC Name	2-(2,6-dioxopiperidin-3-yl)-5-iodoisoindole-1,3-dione
Molecular Formula	C13H9IN2O4
Molecular Weight	384.13
XLogP	1
Topological Polar Surface Area	83.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	507

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)I

InChI

InChI=1S/C13H9IN2O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4H2,(H,15,17,18)

InChIKey

CPMXADCMGIFEEI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2509137-01-1

CID: 147266066

Formula: C13H9IN2O4

MW: 384.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	384.13
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	383.96070
Monoisotopic Mass	383.96070
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	507
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes