Methyl 3-Fluoro-5-(hydroxymethyl)benzoate - CAS 660416-37-5

Catalog:	BB032890
Product Name:	Methyl 3-Fluoro-5-(hydroxymethyl)benzoate
CAS:	660416-37-5
Synonyms:	3-fluoro-5-(hydroxymethyl)benzoic acid methyl ester; methyl 3-fluoro-5-(hydroxymethyl)benzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-fluoro-5-(hydroxymethyl)benzoate
Description:	Methyl 3-Fluoro-5-(hydroxymethyl)benzoate (CAS# 660416-37-5 ) is a useful research chemical.
Molecular Weight:	184.16
Molecular Formula:	C9H9FO3
Canonical SMILES:	COC(=O)C1=CC(=CC(=C1)F)CO
InChI:	InChI=1S/C9H9FO3/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-4,11H,5H2,1H3
InChI Key:	SLDBCBDKAUNYHY-UHFFFAOYSA-N
LogP:	1.10460

Publication Number	Title	Priority Date
WO-2021181122-A1	Gpr52 modulator compounds	20200313
WO-2021090030-A1	Gpr52 modulator compounds	20191108
EP-2900645-A1	3-phenylisoxazolin derivatives with herbicidal action	20120925
AU-2006328194-A1	Quinazoline derivatives, process for their preparation and their use as anti-cancer agents	20051222
BR-PI0620462-A2	compound, process for preparing a compound, pharmaceutical composition, use of a compound, and methods for producing a b-raf inhibitory effect and an anti-cancer effect in a warm-blooded animal, and for treating a disease.	20051222

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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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.05357231
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1