chempirical

5-Chloro-2-nitrobenzenemethanol

C7H6ClNO3CAS 73033-58-6187.58 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
79.8–80.2 °C
logP
1.74Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
73033-58-6
SMILES
O=[N+]([O-])c1ccc(Cl)cc1CO
InChIKey
ULYZTHQGJXPEFT-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-3,10H,4H2

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Names and synonyms

3 names
  • Benzenemethanol, 5-chloro-2-nitro-
  • 5-Chloro-2-nitrobenzyl alcohol
  • (5-Chloro-2-nitrophenyl)methanol

Work with 5-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

4-Chloro-1,2-dinitrobenzene610-40-262 % similar 2-Nitrobenzyl alcohol612-25-960 % similar 2,4-Dichloronitrobenzene611-06-358 % similar 5-Chloro-2-nitroaniline1635-61-655 % similar 4-Chloro-2-methyl-1-nitrobenzene5367-28-255 % similar 4-Chloro-2-fluoro-1-nitrobenzene700-37-855 % similar 4-Chloro-2-nitrophenol89-64-555 % similar 1,4-Dichloro-2-nitrobenzene89-61-254 % 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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