chempirical

1,3-Dichloro-2-methoxy-5-nitrobenzene

C7H5Cl2NO3CAS 17742-69-7222.02 g/mol

Open in Covalent MOL file
OClN+OO−Cl
Aryl halideEtherNitro

Properties

Molecular formula
C7H5Cl2NO3
Molar mass
222.02 g/mol
Exact mass
220.9646 Da
Melting point
97–98 °C
logP
2.91Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
17742-69-7
SMILES
COc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIKey
GJYVJKPFYCKNEC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2NO3/c1-13-7-5(8)2-4(10(11)12)3-6(7)9/h2-3H,1H3

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Names and synonyms

5 names
  • Benzene, 1,3-dichloro-2-methoxy-5-nitro-
  • Anisole, 2,6-dichloro-4-nitro-
  • 3,5-Dichloro-4-methoxynitrobenzene
  • 2,6-Dichloro-4-nitroanisole
  • NSC 212118

Work with 1,3-Dichloro-2-methoxy-5-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-Chloro-1-methoxy-4-nitrobenzene4920-79-064 % similar Trinitroanisole606-35-964 % similar 1,3-Dichloro-2-fluoro-5-nitrobenzene3107-19-561 % similar 1-Chloro-2-methoxy-4-nitrobenzene1009-36-559 % similar 1,2,3-Trichloro-5-nitrobenzene20098-48-059 % similar 1-Methoxy-3,5-dinitrobenzene5327-44-658 % similar 2,6-Dichloro-4-nitrophenol618-80-456 % similar 2,6-Dichloro-4-nitroaniline99-30-956 % similar

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

Same formula

3,5-Dichloro-4-oxo-1(4H)-pyridineacetic acid56187-37-2

Elsewhere

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