Methyl 4-bromo-2-methoxybenzoate - CAS 139102-34-4

Name: Methyl 4-bromo-2-methoxybenzoate
Brand: BOC Sciences
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Catalog:	BB008890
Product Name:	Methyl 4-bromo-2-methoxybenzoate
CAS:	139102-34-4
Synonyms:	methyl 4-bromo-2-methoxybenzoate

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Computed Properties

IUPAC Name:	methyl 4-bromo-2-methoxybenzoate
Description:	Methyl 4-bromo-2-methoxybenzoate (CAS# 139102-34-4) is a useful research chemical.
Molecular Weight:	245.07
Molecular Formula:	C9H9BrO3
Canonical SMILES:	COC1=C(C=CC(=C1)Br)C(=O)OC
InChI:	InChI=1S/C9H9BrO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
InChI Key:	WPGAGRPPDYAZAD-UHFFFAOYSA-N
Boiling Point:	52 °C0.01 mmHg (lit.)
Melting Point:	33 °C (lit.)
Purity:	98 %
Density:	1.462 g/cm³
Appearance:	Low-melting solid
MDL:	MFCD06797867
LogP:	2.24430

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid

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GHS Hazard Statement:	H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112281182-A	Method for preparing deuterated aromatic hydrocarbon under electrochemical condition	20201029
WO-2021203023-A1	Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
CN-111196876-A	Synthetic method and application of Co-based MOF material with nucleic acid screening function and adjustable pore diameter	20200214
CN-111196876-B	Synthetic method and application of Co-based MOF material with nucleic acid screening function and adjustable pore diameter	20200214
WO-2021139599-A1	RORÎ³T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF	20200106

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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.97351
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7