chempirical

4-Chloro-2-nitrobenzenemethanol

C7H6ClNO3CAS 22996-18-5187.58 g/mol

Open in Covalent MOL file
ON+O−ClHO
AlcoholAryl halideNitro

Properties

Molecular formula
C7H6ClNO3
Molar mass
187.58 g/mol
Exact mass
187.0036 Da
Melting point
72 °C
logP
1.74Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
22996-18-5
SMILES
O=[N+]([O-])c1cc(Cl)ccc1CO
InChIKey
OAHGNOHGHOTZQU-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4H2

Weigh it out

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Names and synonyms

4 names
  • Benzenemethanol, 4-chloro-2-nitro-
  • Benzyl alcohol, 4-chloro-2-nitro-
  • 4-Chloro-2-nitrobenzyl alcohol
  • (4-Chloro-2-nitrophenyl)methanol

Work with 4-Chloro-2-nitrobenzenemethanol

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

5-Chloro-2-nitrobenzenemethanol73033-58-677 % similar 4-Bromo-2-nitrobenzyl alcohol22996-19-663 % similar 4-Chloro-1,2-dinitrobenzene610-40-262 % similar 2-Nitrobenzyl alcohol612-25-960 % similar 4-Chloro-2-nitrophenol89-64-559 % similar 1,4-Dichloro-2-nitrobenzene89-61-258 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-655 % similar 1-Bromo-4-chloro-2-nitrobenzene41513-04-655 % 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 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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