4-Chloro-5-methyl-2-nitrophenol

C₇H₆ClNO₃CAS 7147-89-9187.58 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₇H₆ClNO₃
Molar mass: 187.58 g/mol
Exact mass: 187.0036 Da
Melting point: 133 °C
logP: 2.26Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

7147-89-9

SMILES

Cc1cc(O)c([N+](=O)[O-])cc1Cl

InChIKey

JBMGJOKJUYGIJH-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3

Weigh it out

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

Names and synonyms

7 names

Phenol, 4-chloro-5-methyl-2-nitro-
m-Cresol, 4-chloro-6-nitro-
4-Chloro-3-methyl-6-nitrophenol
4-Chloro-6-nitro-m-cresol
4-Chloro-6-nitro-3-methylphenol
NSC 28451
4-Chloro-6-nitro-3-cresol

Work with 4-Chloro-5-methyl-2-nitrophenol

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

4,6-Dinitroresorcinol616-74-063 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-359 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-659 % similar 1-Chloro-2-fluoro-4-methyl-5-nitrobenzene118664-99-655 % similar 1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene1032903-50-652 % similar 2,4,5-Trichloronitrobenzene89-69-051 % similar 4-Methyl-2-nitrophenol119-33-551 % similar 2-Chloro-4-nitrotoluene121-86-851 % 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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