2-(3-Chloropropoxy)-1-methoxy-4-nitrobenzene

C₁₀H₁₂ClNO₄CAS 92878-95-0245.66 g/mol

Open in Covalent MOL file

Alkyl halide Ether Nitro

Properties

Molecular formula: C₁₀H₁₂ClNO₄
Molar mass: 245.66 g/mol
Exact mass: 245.0455 Da
logP: 2.61Crippen estimate
Polar surface area: 61.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

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

Identifiers

CAS number

92878-95-0

SMILES

COc1ccc([N+](=O)[O-])cc1OCCCCl

InChIKey

JHFBALWBVABSLF-UHFFFAOYSA-N

InChI

InChI=1S/C10H12ClNO4/c1-15-9-4-3-8(12(13)14)7-10(9)16-6-2-5-11/h3-4,7H,2,5-6H2,1H3

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Names and synonyms

2 names

Benzene, 2-(3-chloropropoxy)-1-methoxy-4-nitro-
1-(2-Methoxy-5-nitrophenoxy)-3-chloropropane

Work with 2-(3-Chloropropoxy)-1-methoxy-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

1,2-Dimethoxy-4-nitrobenzene709-09-165 % similar 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-761 % similar 4'-Nitrobenzo-18-crown 6-Ether53408-96-157 % similar 2,3,5,6,8,9,11,12-Octahydro-15-nitro-1,4,7,10,13-benzopentaoxacyclopentadecin60835-69-057 % similar Methyl 4-(3-chloropropoxy)-5-methoxy-2-nitrobenzoate214470-57-256 % similar 1-Chloro-2-methoxy-4-nitrobenzene1009-36-556 % similar 2-Chloro-1-methoxy-4-nitrobenzene4920-79-056 % similar 2-Bromo-1-methoxy-4-nitrobenzene5197-28-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Chlorphenesin carbamate886-74-8

Elsewhere

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