AG004LF7

865758-96-9 | 2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile

AG004LF7

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	865758-96-9
Catalog Number	AG004LF7(AGN-PC-0V6SCV)
Chemical Name	2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
EC Number	695-742-0
IUPAC Name	2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile
InChI	InChI=1S/C13H10ClN3O2/c1-16-12(18)6-11(14)17(13(16)19)8-10-5-3-2-4-9(10)7-15/h2-6H,8H2,1H3
InChI Key	BVUJISIVAHYNLI-UHFFFAOYSA-N
MDL Number	MFCD11558902
Molecular Formula	C13H10ClN3O2
Molecular Weight	275.6904
SMILES	N#CC1=CC=CC=C1CN(C(N2C)=O)C(Cl)=CC2=O
Synonyms	865758-96-9, 2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile, 2-[(6-CHLORO-3,4-DIHYDRO-3-METHYL-2,4-DIOXO-1(2H)-PYRIMIDINYL)METHYL]BENZONITRILE, Alogliptin Impurity 09, C13H10ClN3O2, 2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile, 2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H) -yl)methyl)benzonitrile, Benzonitrile,2-[(6-chloro-3,4-dihydro-3-Methyl-2,4-dioxo-1(2H)-pyriMidinyl)Methyl]-, BVUJISIVAHYNLI-UHFFFAOYSA-N, SCHEMBL389683, Alogliptin Related Compound 28, CTK8B6401, DTXSID10463107, BCP08889, CS-M2296, KS-00000Q0P, ANW-53401, MFCD11558902, ZINC40433892, AKOS015999478, AB64299, AC-25788, AK-93373, AS-19917, AJ-101739, DB-076686, 4CH-018368, AM20090701, FT-0664651, Z1750, 2-(6-CHLORO-3-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YLMETHYL)-BENZONITRILE, 2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-benzonitrile, 2-[6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidine-1(2H)-ylmethyl]benzonitrile, Benzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-, CID11346416, 2-[(6-chloro-3-methyl-2,4-dioxo-pyrimidin-1-yl)methyl]benzonitrile,

Complexity	480
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.046g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.692g/mol
Monoisotopic Mass	275.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number