AG0036KG

70728-89-1 | 2-Bromo-4,4'-di-tert-butyl-biphenyl

AG0036KG

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CAS Number	70728-89-1
Catalog Number	AG0036KG(AGN-PC-0NJC7F)
Chemical Name	2-Bromo-4,4'-di-tert-butyl-biphenyl
IUPAC Name	2-bromo-4-tert-butyl-1-(4-tert-butylphenyl)benzene
InChI	InChI=1S/C20H25Br/c1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(13-18(17)21)20(4,5)6/h7-13H,1-6H3
InChI Key	OPPSYCGZHQVDPM-UHFFFAOYSA-N
MDL Number	MFCD20921696
Molecular Formula	C20H25Br
Molecular Weight	345.3165
SMILES	CC(C1=CC=C(C2=CC=C(C(C)(C)C)C=C2Br)C=C1)(C)C
Synonyms	70728-89-1, 2-Bromo-4,4'-di-tert-butyl-1,1'-biphenyl, 2-BROMO-4,4'-DI-TERT-BUTYL-BIPHENYL, 2-bromo-4,4'-di-tert-butylbiphenyl, bromo-di-t-butylbiphenyl, C20H25Br, SCHEMBL1823358, CTK2H4510, DTXSID70501857, OPPSYCGZHQVDPM-UHFFFAOYSA-N, 2-bromo-4,4'-di-t-butylbiphenyl, 4,4'-di-t-butyl-2-bromobiphenyl, 0969AC, 0970AC, ANW-70833, CX1319, MFCD20921696, ZINC85224954, AKOS016007855, AJ-127657, AX8239162, TC-159578, 2-BROMO-4,4-DI-TERT-BUTYL-BIPHENYL, X-3665, 1,1'-Biphenyl, 2-bromo-4,4'-bis(1,1-dimethylethyl)-, 2-BROMO-4-TERT-BUTYL-1-(4-TERT-BUTYLPHENYL)BENZENE, C20H27N, 4,4'-Di-tert-butyl-[1,1'-biphenyl]-2-amine, 70728-92-6,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	344.114g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	345.324g/mol
Monoisotopic Mass	344.114g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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