Gimeracil Impurity 23

CAT: 1596-AR-G02232-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G02232-06Size:250 Units

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CAS Number

63910-63-4

Molecular Formula

C10H12N6O5

Molecular Weight

296.24

API Name

Gimeracil

Chemical Information

2,2'-Oxybis(4,6-dimethoxy-1,3,5-triazine)

CAS Number	63910-63-4
PubChem CID	12345224
IUPAC Name	2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-4,6-dimethoxy-1,3,5-triazine
Molecular Formula	C10H12N6O5
Molecular Weight	296.24
XLogP	1.4
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	262

SMILES

COC1=NC(=NC(=N1)OC2=NC(=NC(=N2)OC)OC)OC

InChI

InChI=1S/C10H12N6O5/c1-17-5-11-6(18-2)14-9(13-5)21-10-15-7(19-3)12-8(16-10)20-4/h1-4H3

InChIKey

QHAJBUQUHVXKFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63910-63-4

CID: 12345224

Formula: C10H12N6O5

MW: 296.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.24
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	296.08691750
Monoisotopic Mass	296.08691750
Topological Polar Surface Area	123 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	262
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-G01322-01	Gimeracil Impurity 11
AR-G02231-01	Gimeracil Impurity 22
AR-G02229-01	Gimeracil Impurity 20
AR-G02230-01	Gimeracil Impurity 21
AR-G02226-01	Gimeracil Impurity 18
AR-G02233-01	Gimeracil
AR-G02234-01	Gimeracil Impurity 4-13C3 (Cyanuric Acid-13C3)