1- (2-Bromoethoxy) -4-methoxybenzene

CAT: 0926-XAA92176Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-XAA92176Size:2.5 g

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CAS Number

22921-76-2

MDL Number

MFCD00017893

Smiles

COC1=CC=C (C=C1) OCCBr

Molecular Formula

C9H11BrO2

Molecular Weight

231.09 g/mol

Controlled

Chemical Information

1-(2-Bromoethoxy)-4-methoxybenzene

CAS Number	22921-76-2
PubChem CID	579814
IUPAC Name	1-(2-bromoethoxy)-4-methoxybenzene
Molecular Formula	C9H11BrO2
Molecular Weight	231.09
XLogP	2.6
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	111

SMILES

COC1=CC=C(C=C1)OCCBr

InChI

InChI=1S/C9H11BrO2/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5H,6-7H2,1H3

InChIKey

PRRJGZRMBVOTGG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22921-76-2

CID: 579814

Formula: C9H11BrO2

MW: 231.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.09
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	229.99424
Monoisotopic Mass	229.99424
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	111
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ZFA96628-01	1-[ (2-Bromoethoxy) methyl]-4-methoxybenzene
FB151131-01	2- (2-Bromoethoxy) -1-methoxybenzene
DAA24545-01	1- (2-Bromoethoxy) -3-methoxybenzene
MDA54548-01	1- (2-Bromoethoxy) -4-phenoxybenzene
FFA84021-01	1- (2-Bromoethoxy) -4-methanesulfonylbenzene
CAA03377-01	4- (2-Bromoethoxy) -1,2-dimethoxybenzene
KDA26250-01	2- (2-Bromoethoxy) -1,4-dichlorobenzene
GAA95477	1- (2-Bromoethoxy) -2,4-dichlorobenzene
SAA42737	1- (2-Isothiocyanatoethyl) -4-methoxybenzene
XZB11163-01	4- (2-Bromoethoxy) oxane

Catalog	Name
sc-272836	1- (2-Bromoethoxy) -4-methoxybenzene
JH916977	1-[ (2-bromoethoxy) methyl]-4-methoxybenzene
sc-332124	1- (2-bromoethoxy) -2-methoxybenzene
407490-01	1- (2-Bromoethoxy) -3-methoxybenzene
HY-W080379	4- (2-Bromoethoxy) benzaldehyde
sc-276637	4- (2-bromoethoxy) benzenesulfonamide
OR94979-01	4- (2-Bromoethoxy) benzonitrile
OR9912	4- (2-Bromoethoxy) benzenecarboxaldehyde
sc-313933	4- (2-Bromoethoxy) benzenecarbaldehyde
OR1043720-01	4- (2-Bromoethoxy) phenol