AG000DG0

116965-13-0 | 3-(4-Methylphenoxy)-1,2-benzenedicarbonitrile

AG000DG0

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CAS Number	116965-13-0
Catalog Number	AG000DG0(AGN-PC-05IUX4)
Chemical Name	3-(4-Methylphenoxy)-1,2-benzenedicarbonitrile
IUPAC Name	3-(4-methylphenoxy)benzene-1,2-dicarbonitrile
InChI	InChI=1S/C15H10N2O/c1-11-5-7-13(8-6-11)18-15-4-2-3-12(9-16)14(15)10-17/h2-8H,1H3
InChI Key	XJERBWBJRZDWHE-UHFFFAOYSA-N
MDL Number	MFCD06410892
Molecular Formula	C15H10N2O
Molecular Weight	234.2527
SMILES	N#CC1=CC=CC(OC2=CC=C(C)C=C2)=C1C#N
Synonyms	3-(p-tolyloxy)phthalonitrile, 116965-13-0, 3-(4-Mehtylphenoxy)-1,2-benzenedicabonitile, 3-(4-METHYLPHENOXY)-1,2-BENZENEDICARBONITRILE, 3-(4-methylphenoxy)benzene-1,2-dicarbonitrile, DTXSID10652130, 3-(4-Methylphenoxy)phthalonitrile, 2759AA, 3-(p-Tolyloxy)phthalonitrile, 96%, MFCD06410892, ZINC21984656, AKOS015961415, AC-13751, AJ-79234, AK110852, AS-41299, BC206688, SC-66445, AB0047246, AX8080225, DB-060937, FT-0741045, ST24041641, 1,2-Benzenedicarbonitrile, 3-(4-methylphenoxy)-, 3-(4-METHYLPHENOXY)-1,2-BENZENE DICARBONITRILE, C15H10N2O, A2410, 185946-05-8,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.079g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	234.258g/mol
Monoisotopic Mass	234.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	56.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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