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

C₁₀H₁₂ClNO₃CAS 1032903-50-6229.66 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₁₀H₁₂ClNO₃
Molar mass: 229.66 g/mol
Exact mass: 229.0506 Da
logP: 3.34Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

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

Weigh it out

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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook