AG003O3V

54247-27-7 | (((6-Bromohexyl)oxy)methyl)benzene

AG003O3V

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CAS Number	54247-27-7
Catalog Number	AG003O3V(AGN-PC-0KL32O)
Chemical Name	(((6-Bromohexyl)oxy)methyl)benzene
IUPAC Name	6-bromohexoxymethylbenzene
InChI	InChI=1S/C13H19BrO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChI Key	UHDZRWPKYMHVNV-UHFFFAOYSA-N
MDL Number	MFCD02258455
Molecular Formula	C13H19BrO
Molecular Weight	271.1934
SMILES	BrCCCCCCOCC1=CC=CC=C1
Synonyms	54247-27-7, Benzyl 6-Bromohexyl Ether, (((6-Bromohexyl)oxy)methyl)benzene, 6-bromohexoxymethylbenzene, Benzyloxyhexyl Bromide, (6-Bromohexyloxymethyl)benzene, Benzene, [[(6-bromohexyl)oxy]methyl]-, {[(6-bromohexyl)oxy]methyl}benzene, ACMC-1AOWP, 6-Benzyloxyhexyl bromide, 1-bromo-6-benzyloxyhexane, 6-Benzyloxy-1-bromohexane, AC1MD73S, 6-bromanylhexoxymethylbenzene, SCHEMBL4229986, CTK1G8949, ((6-bromohexyloxy)methyl)benzene, DTXSID00382813, UHDZRWPKYMHVNV-UHFFFAOYSA-N, KS-000014UD, ZINC2392142, 7800AB, ANW-32018, MFCD02258455, AKOS016009409, TRA0041566, AJ-35817, ST2414054, TC-120763, B2820, FT-0640229, A830063, I14-57718, Benzyl6-bromohexylether, C13H19BrO, CID2784764,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.062g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.198g/mol
Monoisotopic Mass	270.062g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

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