2-[2- (4-Bromophenyl) ethoxy]acetic acid

CAT: 0127-OR1102469-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1102469-01Size:100 mg

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CAS Number

917226-71-2

MDL Number

MFCD11559796

Purity

95%

Smiles

O=C (O) COCCC1=CC=C (Br) C=C1

Chemical Information

2-(2-(4-Bromophenyl)ethoxy)acetic acid

CAS Number	917226-71-2
PubChem CID	24769573
IUPAC Name	2-[2-(4-bromophenyl)ethoxy]acetic acid
Molecular Formula	C10H11BrO3
Molecular Weight	259.10
XLogP	2.3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	176

SMILES

C1=CC(=CC=C1CCOCC(=O)O)Br

InChI

InChI=1S/C10H11BrO3/c11-9-3-1-8(2-4-9)5-6-14-7-10(12)13/h1-4H,5-7H2,(H,12,13)

InChIKey

VYXSSNOVENWTFH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 917226-71-2

CID: 24769573

Formula: C10H11BrO3

MW: 259.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.10
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	257.98916
Monoisotopic Mass	257.98916
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	176
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
OR1057815-01	2- ((4-Bromophenyl) amino) acetic acid
OR480296-01	2-Amino-2- (4-bromophenyl) acetic acid
OR1057479-01	2- (2- (4-Octylphenoxy) ethoxy) acetic acid
OR1058525-01	2- (2-Ethoxy-4-formylphenoxy) acetic acid
OR83776-01	(R) -2-Amino-2- (4-bromophenyl) acetic acid
OR1045769-01	2-Amino-2- (4-bromophenyl) acetic acid hydrochloride
OR1069533-01	(S) -2-Amino-2- (4-bromophenyl) acetic acid
OR470788	2- (4-Ethoxy-3-isopropoxyphenyl) acetic acid
OR480224-01	Amino (2-bromophenyl) acetic acid
OR1070368-01	2- (2- (2- (2-Bromoethoxy) ethoxy) ethoxy) acetic acid

Catalog	Name
SLB22671-01	2-[2- (4-Bromophenyl) ethoxy]acetic acid
FH HF 0062-01	2- (4-bromophenyl) acetic acid
sc-306507	2-Amino-2- (4-bromophenyl) acetic acid
EGA82610-01	2-[2- (4-Octylphenoxy) ethoxy]acetic acid
HTB14203-01	2-[2- (4-Ethylphenyl) ethoxy]acetic acid
TAA81575-01	2-[ (4-Bromophenyl) formamido]acetic acid
GDA43133-01	2-[ (4-Bromophenyl) methanesulfinyl]acetic acid
TRC-E891895-2.5G	(2-Ethoxy-4-formylphenoxy)acetic Acid
417487-01	(2-Ethoxy-4-formylphenoxy) acetic Acid
159306	2-[2-[2- (2-Chloroethoxy) ethoxy]ethoxy]acetic Acid