Methyl 3-Fluoro-4-hydroxybenzoate - CAS 403-01-0

Catalog:	BB024437
Product Name:	Methyl 3-Fluoro-4-hydroxybenzoate
CAS:	403-01-0
Synonyms:	3-fluoro-4-hydroxybenzoic acid methyl ester; methyl 3-fluoro-4-hydroxybenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-fluoro-4-hydroxybenzoate
Description:	Methyl 3-Fluoro-4-hydroxybenzoate (CAS# 403-01-0) is a useful research chemical.
Molecular Weight:	170.14
Molecular Formula:	C8H7FO3
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)O)F
InChI:	InChI=1S/C8H7FO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
InChI Key:	IYUSGKSCDUJSKS-UHFFFAOYSA-N
Boiling Point:	259.9 °C at 760 mmHg
Density:	1.309 g/cm³
LogP:	1.31790

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.03792224
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.03792224
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5