AG000UHR

13049-40-6 | 1,1'-Biphenyl, 4,4'-diethyl-

AG000UHR

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CAS Number	13049-40-6
Catalog Number	AG000UHR(AGN-PC-0JKSMC)
Chemical Name	1,1'-Biphenyl, 4,4'-diethyl-
IUPAC Name	1-ethyl-4-(4-ethylphenyl)benzene
InChI	InChI=1S/C16H18/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3
InChI Key	UMSGIWAAMHRVQI-UHFFFAOYSA-N
MDL Number	MFCD06797093
Molecular Formula	C16H18
Molecular Weight	210.3141
SMILES	CCC1=CC=C(C2=CC=C(CC)C=C2)C=C1
Synonyms	4,4'-DIETHYLBIPHENYL, 13049-40-6, 1-ethyl-4-(4-ethylphenyl)benzene, 1,1'-Biphenyl,4,4'-diethyl-, ACMC-209bio, AC1L27I4, CTK4B6753, ANW-19198, MFCD06797093, ZINC66351938, AKOS015918082, MCULE-4042472058, 57364-79-1, TC-107943, D2938, FT-0701930, I14-9019, Diethylbiphenyl, 4,4/'-Diethylbiphenyl, Biphenyl, 4,4'-diethyl-, 1,1'-Biphenyl, 4,4'-diethyl-, CID42292,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.141g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.32g/mol
Monoisotopic Mass	210.141g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H413
Packing Group	Ⅲ
Precautionary statements	P273-P501
UN Code	UN 3077

Certificate of Analysis

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