4-Bromo-2-methoxyphenylacetic Acid - CAS 1026089-09-7

Catalog:	BB000905
Product Name:	4-Bromo-2-methoxyphenylacetic Acid
CAS:	1026089-09-7
Synonyms:	2-(4-bromo-2-methoxyphenyl)acetic acid; 2-(4-bromo-2-methoxyphenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-bromo-2-methoxyphenyl)acetic acid
Description:	4-Bromo-2-methoxyphenylacetic Acid (CAS# 1026089-09-7) is a useful research chemical.
Molecular Weight:	245.07
Molecular Formula:	C9H9BrO3
Canonical SMILES:	COC1=C(C=CC(=C1)Br)CC(=O)O
InChI:	InChI=1S/C9H9BrO3/c1-13-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChI Key:	RNRCAQYXOAHKGD-UHFFFAOYSA-N
LogP:	2.08480

Publication Number	Title	Priority Date
WO-2021188936-A1	Phd inhibitor compounds, compositions, and use	20200320
WO-2021081207-A1	Glp-1r modulating compounds	20191025
US-2021171499-A1	Glp-1r modulating compounds	20191025
WO-2021014166-A1	Pyridine derivatives as tmem16a modulators for use in the treatment of respiratory conditions	20190724
WO-2020221272-A1	Indole macrocyclic derivative, preparation method therefor and use thereof in medicine	20190430

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	184
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	243.97351
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2