Pomalidomide Impurity 27

CAT: 1596-AR-P32152-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P32152-03Size:50 Units

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CAS Number

610-27-5

Synonyms

4-Nitrophthalic acid

Molecular Formula

C8H5NO6

Molecular Weight

211.13

API Name

Pomalidomide

Chemical Information

1,2-Benzenedicarboxylic acid, 4-nitro-

CAS Number	610-27-5
PubChem CID	69121
IUPAC Name	4-nitrophthalic acid
Molecular Formula	C8H5NO6
Molecular Weight	211.13
XLogP	0.9
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	296

SMILES

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

InChI

InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)

InChIKey

SLBQXWXKPNIVSQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 610-27-5

CID: 69121

Formula: C8H5NO6

MW: 211.13

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	211.13
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	211.01168688
Monoisotopic Mass	211.01168688
Topological Polar Surface Area	120 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	296
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