1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene

C10H12ClNO3CAS 1032903-50-6229.66 g/mol

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ClON+OO−
Aryl halideEtherNitro

Properties

Molecular formula
C10H12ClNO3
Molar mass
229.66 g/mol
Exact mass
229.0506 Da
logP
3.34Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

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

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Identifiers

CAS number
1032903-50-6
SMILES
CC1=CC(=C(C=C1Cl)OC(C)C)[N+](=O)[O-]
InChIKey
BXIHEXKVDALKGM-UHFFFAOYSA-N
InChI
InChI=1S/C10H12ClNO3/c1-6(2)15-10-5-8(11)7(3)4-9(10)12(13)14/h4-6H,1-3H3

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Work with 1-Chloro-5-isopropoxy-2-methyl-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-Bromo-2-methyl-5-(1-methylethoxy)-4-nitrobenzene1202858-68-167 % similar 5-Methyl-2-isopropyloxy-4-(pyridine-4-YL)-nitrobenzene1032903-62-059 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-356 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-656 % similar 4-Chloro-5-methyl-2-nitrophenol7147-89-952 % similar 4,5-Dichloro-2-nitrotoluene7494-45-351 % similar 5-Chloro-2,4-dinitrotoluene51676-74-550 % similar 1-Chloro-2,5-dimethoxy-4-nitrobenzene6940-53-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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