4-Chloro-2-methoxy-1-nitrobenzene

C7H6ClNO3CAS 6627-53-8187.58 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
70 °C
logP
2.26Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6627-53-8
SMILES
COc1cc(Cl)ccc1[N+](=O)[O-]
InChIKey
ABEUJUYEUCCZQF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 4-chloro-2-methoxy-1-nitro-
  • Anisole, 5-chloro-2-nitro-
  • 2-Nitro-5-chloroanisole
  • 4-Chloro-2-methoxynitrobenzene
  • 5-Chloro-2-nitroanisole
  • 1-Chloro-3-methoxy-4-nitrobenzene
  • 2-Methoxy-4-chloronitrobenzene
  • 5-Chloro-2-nitrophenyl methyl ether
  • NSC 60112
  • 4-Chloro-2-(methyloxy)-1-nitrobenzene
  • 3-Methoxy-4-nitro-1-chlorobenzene

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

4-Chloro-1-methoxy-2-nitrobenzene89-21-477 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-767 % similar 2-Methoxy-4-methyl-1-nitrobenzene38512-82-265 % similar 4-Bromo-2-methoxy-1-nitrobenzene103966-66-163 % similar 3-Methoxy-4-nitrophenol16292-95-863 % similar 5-Fluoro-2-nitroanisole448-19-163 % similar 4-Chloro-1,2-dinitrobenzene610-40-262 % similar 1-Chloro-2,5-dimethoxy-4-nitrobenzene6940-53-061 % 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 2-Chloro-6-methoxypyridine-4-carboxylic acid15855-06-8 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 2-Chloro-6-methoxypyridine-3-carboxylic acid503000-87-1

Elsewhere

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