Methyl 3-Fluoro-4-methoxybenzoate - CAS 369-30-2

Catalog:	BB023135
Product Name:	Methyl 3-Fluoro-4-methoxybenzoate
CAS:	369-30-2
Synonyms:	3-fluoro-4-methoxybenzoic acid methyl ester; methyl 3-fluoro-4-methoxybenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-fluoro-4-methoxybenzoate
Description:	Methyl 3-Fluoro-4-methoxybenzoate (CAS# 369-30-2) is a useful research chemical.
Molecular Weight:	184.16
Molecular Formula:	C9H9FO3
Canonical SMILES:	COC1=C(C=C(C=C1)C(=O)OC)F
InChI:	InChI=1S/C9H9FO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3
InChI Key:	MIKOKYAREMINFF-UHFFFAOYSA-N
Boiling Point:	250.5 °C at 760 mmHg
Density:	1.184 g/cm³
MDL:	MFCD00215839
LogP:	1.62090

Publication Number	Title	Priority Date
EP-3647309-A1	Amino alcohol derivative, pharmaceutical composition and application thereof	20170630
EP-2516479-A2	New internal and external donor compounds for olefin polymerization catalysts	20091221
EP-2516479-B1	New internal and external donor compounds for olefin polymerization catalysts	20091221
ES-2574085-T3	New internal and external donor compounds for olefin polymerization catalysts	20091221
JP-2013515146-A	New internal and external donor compounds for olefin polymerization catalysts.	20091221

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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:	184.05357231
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.05357231
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8