3- (2-Bromoethoxy) anisole

CAT: 0127-OR12039-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR12039-01Size:1 g

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CAS Number

3245-45-2

Synonyms

1- (2-Bromoethoxy) -3-methoxybenzene

MDL Number

MFCD00980056

Purity

=95%

Smiles

COc1cccc(OCCBr)c1

Chemical Information

1-(2-Bromoethoxy)-3-methoxybenzene

CAS Number	3245-45-2
PubChem CID	2245429
IUPAC Name	1-(2-bromoethoxy)-3-methoxybenzene
Molecular Formula	C9H11BrO2
Molecular Weight	231.09
XLogP	3
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	119

SMILES

COC1=CC(=CC=C1)OCCBr

InChI

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

InChIKey

BTUZRSNUNBPIEN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3245-45-2

CID: 2245429

Formula: C9H11BrO2

MW: 231.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.09
XLogP3	3
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	119
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

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