Tenofovir Impurity 290

CAT: 1299-RM-T140890-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T140890-01Size:10 mg

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CAS Number

2164-83-2

Synonyms

5-nitropyrimidine-4,6-diol

Molecular Formula

C4H3N3O4

Molecular Weight

157.09

Target Alternative Name

Tenofovir

Product Name Synonym

5-nitropyrimidine-4,6-diol

Chemical Information

4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-

CAS Number	2164-83-2
PubChem CID	75105
IUPAC Name	4-hydroxy-5-nitro-1H-pyrimidin-6-one
Molecular Formula	C4H3N3O4
Molecular Weight	157.08
XLogP	-0.3
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	274

SMILES

C1=NC(=C(C(=O)N1)[N+](=O)[O-])O

InChI

InChI=1S/C4H3N3O4/c8-3-2(7(10)11)4(9)6-1-5-3/h1H,(H2,5,6,8,9)

InChIKey

ABTLZAVJDRUDNG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2164-83-2

CID: 75105

Formula: C4H3N3O4

MW: 157.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.08
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	157.01235559
Monoisotopic Mass	157.01235559
Topological Polar Surface Area	108 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	274
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