Tenofovir Impurity 291

CAT: 1299-RM-T140891-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T140891-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

4316-93-2

Synonyms

4,6-dichloro-5-nitropyrimidine

Molecular Formula

C4HCl2N3O2

Molecular Weight

193.97

Target Alternative Name

Tenofovir

Product Name Synonym

4,6-dichloro-5-nitropyrimidine

Chemical Information

4,6-Dichloro-5-nitropyrimidine

CAS Number	4316-93-2
PubChem CID	20312
IUPAC Name	4,6-dichloro-5-nitropyrimidine
Molecular Formula	C4HCl2N3O2
Molecular Weight	193.97
XLogP	2
Topological Polar Surface Area	71.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	152

SMILES

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

InChI

InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H

InChIKey

HCTISZQLTGAYOX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4316-93-2

CID: 20312

Formula: C4HCl2N3O2

MW: 193.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.97
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	192.9445817
Monoisotopic Mass	192.9445817
Topological Polar Surface Area	71.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	152
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