AG00IGMW

913846-53-4 | 2-((6-Chloropyrimidin-4-yl)oxy)benzonitrile

AG00IGMW

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CAS Number	913846-53-4
Catalog Number	AG00IGMW(AGN-PC-0WD27Z)
Chemical Name	2-((6-Chloropyrimidin-4-yl)oxy)benzonitrile
IUPAC Name	2-(6-chloropyrimidin-4-yl)oxybenzonitrile
InChI	InChI=1S/C11H6ClN3O/c12-10-5-11(15-7-14-10)16-9-4-2-1-3-8(9)6-13/h1-5,7H
InChI Key	JNEZGHPSXFUFMT-UHFFFAOYSA-N
MDL Number	MFCD11655931
Molecular Formula	C11H6ClN3O
Molecular Weight	231.6378
SMILES	ClC1=CC(=NC=N1)OC1=C(C#N)C=CC=C1
Synonyms	913846-53-4, 2-((6-Chloropyrimidin-4-yl)oxy)benzonitrile, 4-Chloro-6-(2-cyanophenoxy)pyrimidine, 4-Chloro-6-(2-cyanophenoxy)-pyrimidine, 2-[(6-Chloropyrimidin-4-yl)oxy]benzonitrile, SCHEMBL10049643, DTXSID70679449, MFCD11655931, ZINC40422413, AKOS009103780, AS-31403, 2-(6-chloropyrimidin-4-yloxy)benzonitrile, AJ-101712, AX8254828, 2-(6-Chloro-pyrimidin-4-yloxy)-benzonitrile, A-2133, 373C866,

Complexity	278
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.02g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.639g/mol
Monoisotopic Mass	231.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number