chempirical

Nitrofungin

C6H4ClNO3CAS 619-08-9173.55 g/mol

Open in Covalent MOL file
ON+O−OHCl
Aryl halideNitroPhenol

Properties

Molecular formula
C6H4ClNO3
Molar mass
173.55 g/mol
Exact mass
172.9880 Da
Melting point
110–111 °C
logP
1.95Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
619-08-9
SMILES
O=[N+]([O-])c1ccc(O)c(Cl)c1
InChIKey
BOFRXDMCQRTGII-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H

Weigh it out

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Names and synonyms

3 names
  • Phenol, 2-chloro-4-nitro-
  • 2-Chloro-4-nitrophenol
  • NSC 1316

Work with Nitrofungin

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-Nitrocatechol3316-09-468 % similar 1,2-Dichloro-4-nitrobenzene99-54-768 % similar 1-Bromo-2-chloro-4-nitrobenzene29682-39-165 % similar 2-Bromo-4-nitrophenol5847-59-665 % similar 2,4-Dinitrophenol51-28-564 % similar 2-Methyl-4-nitrophenol99-53-662 % similar 2,6-Dichloro-4-nitrophenol618-80-461 % similar 2-Chloro-4-nitrotoluene121-86-860 % similar

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

Same formula

2-Chloro-6-nitrophenol603-86-1 4-Chloro-3-nitrophenol610-78-6 2-Chloro-5-nitrophenol619-10-3 4-Chloro-2-nitrophenol89-64-5

Elsewhere

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