4-Amino-3-fluorophenol hydrochloride

C₆H₇ClFNOCAS 18266-53-0163.58 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₆H₇ClFNO
Molar mass: 163.58 g/mol
Exact mass: 163.0200 Da
logP: 1.54Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H331 Toxic if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

18266-53-0

SMILES

C1=CC(=C(C=C1O)F)N.Cl

InChIKey

BUNOVSISSBLYTC-UHFFFAOYSA-N

InChI

InChI=1S/C6H6FNO.ClH/c7-5-3-4(9)1-2-6(5)8;/h1-3,9H,8H2;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Fluoro-4-hydroxyaniline, hcl

Work with 4-Amino-3-fluorophenol hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Amino-3-fluorophenol399-95-1Free base

Similar compounds

3-Amino-4-fluorophenol62257-16-362 % similar 4-Aminobenzene-1,3-diol hydrochloride34781-86-760 % similar 4-Amino-3-chlorophenol hydrochloride52671-64-456 % similar 3,4-Difluorophenol2713-33-954 % similar 4-Bromo-2-fluoroaniline367-24-852 % similar 2,4-Difluoroaniline367-25-950 % similar 3-Fluoro-4-methoxyphenol452-11-947 % similar 4-Amino-3-fluorobenzonitrile63069-50-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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