(4-Bromophenoxy) acetic acid ethyl ester

CAT: 0024-sc-261854ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-261854ASize:25 g

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CAS Number

6964-29-0

Chemical Information

Ethyl 2-(4-bromophenoxy)acetate

CAS Number	6964-29-0
PubChem CID	248825
IUPAC Name	ethyl 2-(4-bromophenoxy)acetate
Molecular Formula	C10H11BrO3
Molecular Weight	259.10
XLogP	3.1
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	176

SMILES

CCOC(=O)COC1=CC=C(C=C1)Br

InChI

InChI=1S/C10H11BrO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3

InChIKey

BXNIXLGEPMALSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6964-29-0

CID: 248825

Formula: C10H11BrO3

MW: 259.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.10
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	257.98916
Monoisotopic Mass	257.98916
Topological Polar Surface Area	35.5 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
sc-336520	4-Thiomorpholine acetic acid, ethyl ester
sc-282986	(2-bromophenoxy) acetic acid
sc-491395	2- (4-Fluorophenoxy-d4) -acetic Acid Ethyl Ester
sc-505054	2- (Chloromethoxy) acetic Acid Ethyl Ester
sc-489321	Lumiflavin-3-acetic Acid Ethyl Ester
sc-219593	Phenoxy-d5-acetic Acid Ethyl Ester
sc-207584	[ (Diphenylmethyl) sulfinyl]acetic Acid Ethyl Ester
sc-211356	[ (Diphenylmethyl) thio]acetic Acid Ethyl Ester
sc-326647	Carbamimidoyl-acetic acid ethyl ester hydrochloride
sc-284256	(4-Hydroxy-thiazol-2-yl) acetic acid ethyl ester

Catalog	Name
444432-01	Chlorosulfonyl acetic acid ethyl ester
OR97461-01	Formylamino-acetic acid ethyl ester
OR1013308-01	Ethylphenylcyano-Acetic Acid Ethyl Ester
AAA61733	Acetic acid, dibromo-, ethyl ester
TRC-D465925-100MG	Agomelatine Acetic Acid Ethyl Ester
OR346255-01	Ethylamino-acetic acid ethyl ester
BAA90323	Cycloheptylidene-acetic acid ethyl ester
AAA62348-01	Acetic acid, iodo-, ethyl ester
290799-01	Thiocarbamoyl acetic acid ethyl ester
OR346330-01	Phenylamino-acetic acid ethyl ester