Methyl 2-(4-Bromophenoxy)acetate - CAS 4841-23-0

Catalog:	BB026537
Product Name:	Methyl 2-(4-Bromophenoxy)acetate
CAS:	4841-23-0
Synonyms:	2-(4-bromophenoxy)acetic acid methyl ester; methyl 2-(4-bromophenoxy)acetate

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Computed Properties

IUPAC Name:	methyl 2-(4-bromophenoxy)acetate
Description:	Methyl 2-(4-Bromophenoxy)acetate (CAS# 4841-23-0) is a useful research chemical.
Molecular Weight:	245.07
Molecular Formula:	C9H9BrO3
Canonical SMILES:	COC(=O)COC1=CC=C(C=C1)Br
InChI:	InChI=1S/C9H9BrO3/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
InChI Key:	UDAVOUGCAYAMAU-UHFFFAOYSA-N
MDL:	MFCD01124700
LogP:	2.00090

Publication Number	Title	Priority Date
EP-3307262-B1	Compounds for use in treating neuromuscular disorders	20150615
US-2015361116-A1	Novel water-soluble complexing agents and corresponding lanthanide complexes	20130116
US-9920082-B2	Water-soluble complexing agents and corresponding lanthanide complexes	20130116
WO-2014111661-A1	Novel water-soluble complexing agents and corresponding lanthanide complexes	20130116
CA-2863006-A1	Serine racemase inhibitor	20120127

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.97351
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.97351
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1