4-tert-Butyl-1-chloro-2-nitrobenzene

C₁₀H₁₂ClNO₂CAS 58574-05-3213.66 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₁₀H₁₂ClNO₂
Molar mass: 213.66 g/mol
Exact mass: 213.0557 Da
logP: 3.55Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

58574-05-3

SMILES

CC(C)(C)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChIKey

AGZGOTUKAZSIIO-UHFFFAOYSA-N

InChI

InChI=1S/C10H12ClNO2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,1-3H3

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Names and synonyms

1 names

1-tert-Butyl-3-nitro-4-chlorobenzene

Work with 4-tert-Butyl-1-chloro-2-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-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-568 % similar 4-tert-Butyl-2-nitrophenol3279-07-063 % similar 4-(1,1-Dimethylethyl)-2-nitrobenzenamine6310-19-663 % similar 4-Chloro-3-nitrotoluene89-60-159 % similar 1,4-Dichloro-2-nitrobenzene89-61-258 % similar 2,4-Dinitrochlorobenzene97-00-758 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-557 % similar 1-Chloro-4-(methylsulfonyl)-2-nitrobenzene97-07-456 % similar

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

Same formula

Chlorpropham101-21-3 Baclofen1134-47-0 (βS)-β-Amino-2-chlorobenzenebutanoic acid270596-36-6 (βS)-β-Amino-4-chlorobenzenebutanoic acid270596-41-3 tert-Butyl 2-chloropyridine-4-carboxylate295349-62-1 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride41994-51-8 (S)-Baclofen66514-99-6 (-)-Baclofen69308-37-8

Elsewhere

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