chempirical

4-Amino-2,5-dichlorophenol

C6H5Cl2NOCAS 50392-39-7178.01 g/mol

Open in Covalent MOL file
ClHOClNH2
Aryl halidePhenolPrimary amine

Properties

Molecular formula
C6H5Cl2NO
Molar mass
178.01 g/mol
Exact mass
176.9748 Da
logP
2.28Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
50392-39-7
SMILES
C1=C(C(=CC(=C1Cl)O)Cl)N
InChIKey
RVLKXVCJBJCTCE-UHFFFAOYSA-N
InChI
InChI=1S/C6H5Cl2NO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H,9H2

Weigh it out

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Work with 4-Amino-2,5-dichlorophenol

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

2,5-Dichloro-1,4-benzenediamine20103-09-767 % similar 2,5-Dichlorohydroquinone824-69-167 % similar 2,4,5-Trichloroaniline636-30-661 % similar 2,4,5-Trichlorophenol95-95-461 % similar 5-Amino-2-chloro-4-fluorophenol84478-72-859 % similar 4,6-Dichlororesorcinol137-19-957 % similar 2,2′,5,5′-Tetrachlorobenzidine15721-02-556 % similar 4,5-Dichloro-1,2-phenylenediamine5348-42-552 % similar

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

Same formula

2,6-Dichloro-4-pyridinemethanol101990-69-6 Nicotinic acid chloride hydrochloride20260-53-1 Isonicotinoyl chloride hydrochloride39178-35-3 5-Amino-2,4-dichlorophenol39489-79-7 Picolinoyl chloride hydrochloride39901-94-5 2-Amino-4,6-dichlorophenol527-62-8 (5,6-Dichloropyridin-3-yl)methanol54127-30-9 (2,6-Dichloro-3-pyridinyl)methanol55304-90-0

Elsewhere

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