1-Bromo-2-methyl-5-(1-methylethoxy)-4-nitrobenzene

C₁₀H₁₂BrNO₃CAS 1202858-68-1274.11 g/mol

Open in Covalent MOL file

Halogen Nitro Tertiary Amine

Properties

Molecular formula: C₁₀H₁₂BrNO₃
Molar mass: 274.11 g/mol
Exact mass: 273.0001 Da
logP: 3.45Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

1202858-68-1

SMILES

Cc1cc([N+](=O)[O-])c(OC(C)C)cc1Br

InChIKey

LEOYPMMITUZVSD-UHFFFAOYSA-N

InChI

InChI=1S/C10H12BrNO3/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.

Names and synonyms

2 names

Benzene, 1-bromo-2-methyl-5-(1-methylethoxy)-4-nitro-
1-Bromo-5-isopropoxy-2-methyl-4-nitrobenzene

Work with 1-Bromo-2-methyl-5-(1-methylethoxy)-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

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