chempirical

3-Amino-4-chlorophenol

C6H6ClNOCAS 16026-77-0143.57 g/mol

Open in Covalent MOL file
HONH2Cl
Aryl halidePhenolPrimary amine

Properties

Molecular formula
C6H6ClNO
Molar mass
143.57 g/mol
Exact mass
143.0138 Da
logP
1.63Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
16026-77-0
SMILES
C1=CC(=C(C=C1O)N)Cl
InChIKey
FWUALUHYKLDYAN-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2

Weigh it out

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

Work with 3-Amino-4-chlorophenol

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

Similar compounds

4-Amino-3-chlorophenol hydrochloride52671-64-462 % similar 3,4-Dichlorophenol95-77-260 % similar 4-Chloro-M-phenylenediamine5131-60-256 % similar 2,5-Dichloroaniline95-82-956 % similar 4-Chlororesorcinol95-88-556 % similar 4-Chloro-3-fluorophenol348-60-752 % similar 2-Chloro-5-fluorobenzenamine452-83-552 % similar P-Chlorocresol59-50-752 % similar

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

Same formula

(2-Chloropyridin-4-yl)methanol100704-10-7 3-Chloro-2-methoxypyridine13472-84-9 5-Chloro-2-methoxypyridine13473-01-3 2-Chloro-5-methoxypyridine139585-48-1 2-Chloro-6-methoxypyridine17228-64-7 2-Chloro-4-methoxypyridine17228-69-2 4-Amino-3-chlorophenol17609-80-2 (6-Chloropyridin-3-yl)methanol21543-49-7

Elsewhere

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