Methyl 3-Bromo-4-hydroxybenzoate - CAS 29415-97-2

Name: Methyl 3-Bromo-4-hydroxybenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020186
Product Name:	Methyl 3-Bromo-4-hydroxybenzoate
CAS:	29415-97-2
Synonyms:	3-bromo-4-hydroxybenzoic acid methyl ester; methyl 3-bromo-4-hydroxybenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-bromo-4-hydroxybenzoate
Description:	Methyl 3-Bromo-4-hydroxybenzoate (CAS# 29415-97-2) is a useful research chemical.
Molecular Weight:	231.04
Molecular Formula:	C8H7BrO3
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)O)Br
InChI:	InChI=1S/C8H7BrO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
InChI Key:	RKUNSPWAQIUGEZ-UHFFFAOYSA-N
Boiling Point:	283.1 °C at 760 mmHg
Density:	1.627 g/cm³
MDL:	MFCD06203850
LogP:	1.94130

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (20%): 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

Publication Number	Title	Priority Date
WO-2021180966-A1	Bcl-2 family proteins modulating compounds for cancer treatment	20200313
CN-113354616-A	Diaryl-1, 2, 4-triazole compound, preparation method and pharmaceutical application thereof	20200305
WO-2021080508-A1	Method and system for synthesising compounds	20191023
WO-2021066922-A1	Antiviral heterocyclic compounds	20191004
CN-111662239-A	1,2, 4-triazole compound and preparation method and pharmaceutical application thereof	20190306

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.95786
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.95786
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4