AG008SGV

117635-21-9 | 2,5-BIS(HEXYL)-1,4-DIBROMOBENZENE

AG008SGV

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CAS Number	117635-21-9
Catalog Number	AG008SGV(AGN-PC-0KRKXD)
Chemical Name	2,5-BIS(HEXYL)-1,4-DIBROMOBENZENE
IUPAC Name	1,4-dibromo-2,5-dihexylbenzene
InChI	InChI=1S/C18H28Br2/c1-3-5-7-9-11-15-13-18(20)16(14-17(15)19)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChI Key	PDYWYSUEPGNSRY-UHFFFAOYSA-N
MDL Number	MFCD01318993
Molecular Formula	C18H28Br2
Molecular Weight	404.2229
SMILES	CCCCCCC1=C(Br)C=C(CCCCCC)C(Br)=C1
Synonyms	1,4-dibromo-2,5-dihexylbenzene, 117635-21-9, 2,5-Bis(hexyl)-1,4-dibromobenzene, Benzene,1,4-dibromo-2,5-dihexyl-, 2,5-DIHEXYL-1,4-DIBROMOBENZENE, MFCD01318993, AC1MN86D, ACMC-1BY04, SCHEMBL351893, C18H28Br2, CTK4B0371, DTXSID20390910, ZINC2245230, 2870AA, AKOS015839667, Benzene, 1,4-dibromo-2,5-dihexyl-, RTR-003106, AJ-34477, AK122160, SC-89868, AX8067350, TR-003106, FT-0676594, C-1317, I01-13425, 1,4-dibromo-2,5-dihexyl-benzene, CID3273627,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	404.054g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	404.23g/mol
Monoisotopic Mass	402.056g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	9.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H317
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

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