Pomalidomide Impurity 41

CAT: 1299-RM-P131267-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P131267-02Size:25 mg

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CAS Number

2300-16-5

Synonyms

3,6-dinitrophthalic acid

Molecular Formula

C8H4N2O8

Molecular Weight

256.13

Target Alternative Name

Pomalidomide

Product Name Synonym

3,6-dinitrophthalic acid

Chemical Information

3,6-Dinitrophthalic acid

CAS Number	2300-16-5
PubChem CID	75305
IUPAC Name	3,6-dinitrophthalic acid
Molecular Formula	C8H4N2O8
Molecular Weight	256.13
XLogP	0.6
Topological Polar Surface Area	166
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	359

SMILES

C1=CC(=C(C(=C1[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H4N2O8/c11-7(12)5-3(9(15)16)1-2-4(10(17)18)6(5)8(13)14/h1-2H,(H,11,12)(H,13,14)

InChIKey

MZDSOZBFTCRKNT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2300-16-5

CID: 75305

Formula: C8H4N2O8

MW: 256.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.13
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	255.99676509
Monoisotopic Mass	255.99676509
Topological Polar Surface Area	166 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	359
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