AG006Z8A

50446-43-0 | 4,4''-Dimethyl-5'-(p-tolyl)-1,1':3',1''-terphenyl

AG006Z8A

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CAS Number	50446-43-0
Catalog Number	AG006Z8A(AGN-PC-0JS0WU)
Chemical Name	4,4''-Dimethyl-5'-(p-tolyl)-1,1':3',1''-terphenyl
IUPAC Name	1,3,5-tris(4-methylphenyl)benzene
InChI	InChI=1S/C27H24/c1-19-4-10-22(11-5-19)25-16-26(23-12-6-20(2)7-13-23)18-27(17-25)24-14-8-21(3)9-15-24/h4-18H,1-3H3
InChI Key	XMGRUKCVUYLTKU-UHFFFAOYSA-N
MDL Number	MFCD00192798
Molecular Formula	C27H24
Molecular Weight	348.4795
SMILES	CC1=CC=C(C2=CC(C3=CC=C(C)C=C3)=CC(C4=CC=C(C)C=C4)=C2)C=C1
Synonyms	50446-43-0, 4,4''-Dimethyl-5'-(p-tolyl)-1,1':3',1''-terphenyl, 1,3,5-Tris(4-methylphenyl)benzene, 1,3,5-Tris-p-tolylbenzene, 1,3,5-Tri(p-tolyl)benzene, 1,3,5-tris(p-tolyl)benzene, 1,3,5-Tri(4-methylphenyl)benzene, 1,1':3',1''-Terphenyl, 4,4''-dimethyl-5'-(4-methylphenyl)-, AC1L9YLH, CTK1G6688, Benzene, 1,3,5-tri-p-tolyl-, DTXSID60333422, XMGRUKCVUYLTKU-UHFFFAOYSA-N, ZINC3123664, 6941AB, C27H24, MFCD00192798, AKOS016012230, OR01011, AJ-44517, AK122961, AX8247139, 4,4''-Dimethyl-5'-(4-methylphenyl)-1,1':3',1''-terbenzene, AIDS166698, CID504157, T3370, 4,4''-Dimethyl-5'- -1,1':3',1''-terbenzene,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	348.188g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	348.489g/mol
Monoisotopic Mass	348.188g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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