chempirical

1-Chloro-2-methoxy-4-nitrobenzene

C7H6ClNO3CAS 1009-36-5187.58 g/mol

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

Properties

Molecular formula
C7H6ClNO3
Molar mass
187.58 g/mol
Exact mass
187.0036 Da
Melting point
82.5 °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 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
1009-36-5
SMILES
COc1cc([N+](=O)[O-])ccc1Cl
InChIKey
JXIJUAWSDBACEB-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1-chloro-2-methoxy-4-nitro-
  • Anisole, 2-chloro-5-nitro-
  • 2-Chloro-5-nitroanisole
  • 2-Methoxy-4-nitrochlorobenzene
  • 4-Chloro-3-methoxynitrobenzene
  • 2-Methoxy-4-nitro-1-chlorobenzene

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

1,2-Dimethoxy-4-nitrobenzene709-09-171 % similar 2-Methoxy-1-methyl-4-nitrobenzene13120-77-965 % similar 2-Methoxy-4-nitroaniline97-52-965 % similar 1-Chloro-2-methyl-4-nitrobenzene13290-74-964 % similar 2-Methoxy-4-nitrophenol3251-56-763 % similar 2-Iodo-5-nitroanisole5458-84-463 % similar 1-Bromo-2-methoxy-4-nitrobenzene77337-82-763 % similar 2,4-Dinitroanisole119-27-762 % similar

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

Same formula

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 4-Chloro-3-nitrobenzenemethanol55912-20-4

Elsewhere

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