AG00DACH

52711-30-5 | 1-Bromobenzyl Methyl Ether

AG00DACH

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CAS Number	52711-30-5
Catalog Number	AG00DACH(AGN-PC-0WNO1S)
Chemical Name	1-Bromobenzyl Methyl Ether
EC Number	610-887-1
IUPAC Name	1-bromo-2-(methoxymethyl)benzene
InChI	InChI=1S/C8H9BrO/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3
InChI Key	QFAZLCRHLRJNAW-UHFFFAOYSA-N
MDL Number	MFCD03790887
Molecular Formula	C8H9BrO
Molecular Weight	201.0605
SMILES	COCC1=C(Br)C=CC=C1
Synonyms	1-Bromo-2-(methoxymethyl)benzene, 52711-30-5, 1-BROMOBENZYL METHYL ETHER, QFAZLCRHLRJNAW-UHFFFAOYSA-N, 1-Bromobenzyl methyl ether, 98%, 2-bromobenzyl methyl ether, ACMC-20ag76, Methyl(2-bromobenzyl) ether, 1-bromo-2-methoxymethylbenzene, 1-methoxymethyl-2-bromobenzene, SCHEMBL1146014, SCHEMBL5968180, CTK4J6334, DTXSID00513165, ZINC2511692, 2-Bromobenzyl alcohol, methyl ether, ANW-71920, Benzene,1-bromo-2-(methoxymethyl)-, MFCD03790887, AKOS010793495, AM87034, AS03400, AS03402, AJ-36570, PS-11858, AB0042770, TR-018683, ST24037841, Z0660, 1-Bromo-2-(methoxymethyl)benzene, AldrichCPR, Q-8304, I01-10862, 1-Bromobenzylmethylether, C8H9BrO, 4-Bromobenzyl methyl ether, 1-Bromo-4-(methoxymethyl)benzene, 1-bromo-2-(methoxymethyl)benzene, 95% - 1G 1g, 1515-88-4,

Complexity	95.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.984g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.063g/mol
Monoisotopic Mass	199.984g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number