chempirical

4-Chloro-1-methoxy-2-nitrobenzene

C7H6ClNO3CAS 89-21-4187.58 g/mol

Open in Covalent MOL file
OClN+OO−
Aryl halideEtherNitro

Properties

Molecular formula
C7H6ClNO3
Molar mass
187.58 g/mol
Exact mass
187.0036 Da
Melting point
96 °C
logP
2.26Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
89-21-4
SMILES
COc1ccc(Cl)cc1[N+](=O)[O-]
InChIKey
OSAYFGJUEOYRHY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 4-chloro-1-methoxy-2-nitro-
  • Anisole, 4-chloro-2-nitro-
  • 4-Chloro-2-nitroanisole
  • NSC 8445
  • 2-Nitro-4-chloroanisole
  • 5-Chloro-2-methoxynitrobenzene

Work with 4-Chloro-1-methoxy-2-nitrobenzene

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

2,4-Dinitroanisole119-27-767 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-467 % similar 1-Methoxy-4-methyl-2-nitrobenzene119-10-865 % similar 4-Bromo-1-methoxy-2-nitrobenzene33696-00-363 % similar 4-Methoxy-3-nitrobenzenamine577-72-063 % similar 4-Chloro-1,2-dinitrobenzene610-40-262 % similar 1-Chloro-2,5-dimethoxy-4-nitrobenzene6940-53-061 % similar 4-Methoxy-3-nitrobenzaldehyde31680-08-760 % similar

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

Same formula

1-Chloro-2-methoxy-4-nitrobenzene1009-36-5 1-Chloro-4-methoxy-2-nitrobenzene10298-80-3 4-Chloro-2-nitrobenzenemethanol22996-18-5 2-(Chloromethyl)-4-nitrophenol2973-19-5 2-Chloro-6-methyl-3-nitrophenol39183-20-5 2-Chloro-1-methoxy-4-nitrobenzene4920-79-0 4-Chloro-3-nitrobenzenemethanol55912-20-4 4-Chloro-2-methoxy-1-nitrobenzene6627-53-8

Elsewhere

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