Alogliptin Impurity 38

CAT: 1596-AR-A06020-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06020-02Size:25 Units

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

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CAS Number

120977-94-8

Synonyms

2,6-dichloropyrimidin-4 (1H) -one

Molecular Formula

C4H2Cl2N2O

Molecular Weight

164.97

API Name

Alogliptin

Chemical Information

2,6-Dichloro-3H-pyrimidin-4-one

CAS Number	120977-94-8
PubChem CID	135452738
IUPAC Name	2,4-dichloro-1H-pyrimidin-6-one
Molecular Formula	C4H2Cl2N2O
Molecular Weight	164.97
XLogP	1.2
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	209

SMILES

C1=C(N=C(NC1=O)Cl)Cl

InChI

InChI=1S/C4H2Cl2N2O/c5-2-1-3(9)8-4(6)7-2/h1H,(H,7,8,9)

InChIKey

PVXOAKRQJOOIQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120977-94-8

CID: 135452738

Formula: C4H2Cl2N2O

MW: 164.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.97
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	163.9544181
Monoisotopic Mass	163.9544181
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	209
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