Pomalidomide Impurity 37

CAT: 1596-AR-P32163-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P32163-02Size:25 Units

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CAS Number

17395-99-2

Synonyms

4-Aminoisobenzofuran-1,3-dione

Molecular Formula

C8H5NO3

Molecular Weight

163.13

API Name

Pomalidomide

Chemical Information

4-Aminoisobenzofuran-1,3-dione

CAS Number	17395-99-2
PubChem CID	345551
IUPAC Name	4-amino-2-benzofuran-1,3-dione
Molecular Formula	C8H5NO3
Molecular Weight	163.13
XLogP	1.2
Topological Polar Surface Area	69.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	238

SMILES

C1=CC2=C(C(=C1)N)C(=O)OC2=O

InChI

InChI=1S/C8H5NO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H,9H2

InChIKey

DQNFPCOVVBRXOY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17395-99-2

CID: 345551

Formula: C8H5NO3

MW: 163.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.13
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	163.026943022
Monoisotopic Mass	163.026943022
Topological Polar Surface Area	69.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	238
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