Gimeracil Impurity 20

CAT: 1596-AR-G02229-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G02229-02Size:25 Units

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CAS Number

149143-68-0

Synonyms

5-Chloro-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carbonitrile

Molecular Formula

C6H3ClN2O2

Molecular Weight

170.55

API Name

Gimeracil

Chemical Information

Gimeracil Impurity 12

CAS Number	149143-68-0
PubChem CID	141120986
IUPAC Name	5-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carbonitrile
Molecular Formula	C6H3ClN2O2
Molecular Weight	170.55
XLogP	0.4
Topological Polar Surface Area	73.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	321

SMILES

C1=C(C(=C(C(=O)N1)C#N)O)Cl

InChI

InChI=1S/C6H3ClN2O2/c7-4-2-9-6(11)3(1-8)5(4)10/h2H,(H2,9,10,11)

InChIKey

YEJKRSYPWZWFER-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149143-68-0

CID: 141120986

Formula: C6H3ClN2O2

MW: 170.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.55
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	169.9883050
Monoisotopic Mass	169.9883050
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	321
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

Catalog	Name
AR-G01317-01	Gimeracil Impurity 6
AR-G01312-01	Gimeracil Impurity 1
AR-G02228-01	Gimeracil Impurity 19
AR-G02232-01	Gimeracil Impurity 23
AR-G01322-01	Gimeracil Impurity 11
AR-G02230-01	Gimeracil Impurity 21
AR-G02226-01	Gimeracil Impurity 18
AR-G02231-01	Gimeracil Impurity 22
AR-G02233-01	Gimeracil
AR-G02234-01	Gimeracil Impurity 4-13C3 (Cyanuric Acid-13C3)