AG0004EV

1014-93-3 | Benzene, [[(5-bromopentyl)oxy]methyl]-

AG0004EV

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CAS Number	1014-93-3
Catalog Number	AG0004EV(AGN-PC-000R3J)
Chemical Name	Benzene, [[(5-bromopentyl)oxy]methyl]-
IUPAC Name	5-bromopentoxymethylbenzene
InChI	InChI=1S/C12H17BrO/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChI Key	HGUZJKJSYSSVLK-UHFFFAOYSA-N
MDL Number	MFCD02258456
Molecular Formula	C12H17BrO
Molecular Weight	257.1668
SMILES	BrCCCCCOCC1=CC=CC=C1
Synonyms	1014-93-3, Benzyl 5-Bromoamyl Ether, (((5-Bromopentyl)oxy)methyl)benzene, (5-Bromopentyloxymethyl)benzene, Benzene, [[(5-bromopentyl)oxy]methyl]-, 1-(Benzyloxy)-5-bromopentane, ((5-bromopentyloxy)methyl)benzene, 5-BENZYLOXY-1-BROMOPENTANE, {[(5-bromopentyl)oxy]methyl}benzene, Benzyl5-BromoamylEther, Benzyloxypentyl Bromide, 5-bromopentylbenzylether, 5-benzyloxypentyl bromide, 5-bromopentoxymethylbenzene, 5-bromopentyl benzyl ether, ACMC-2097vi, 1-bromo-5-benzyloxy pentane, 5-benzyloxy-1-bromo-pentane, SCHEMBL1309167, CTK3J2949, DTXSID80557562, HGUZJKJSYSSVLK-UHFFFAOYSA-N, ZINC2392144, ANW-14476, MFCD02258456, AKOS013523885, VZ31348, AS-10488, RT-001143, B2819, FT-0633248, KS-00001790, I14-99712, Benzyl 5-Bromopentyl Ether,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.046g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.171g/mol
Monoisotopic Mass	256.046g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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