Methyl 2-bromo-5-nitrobenzoate

C₈H₆BrNO₄CAS 6942-36-5260.04 g/mol

Open in Covalent MOL file

Aryl halide Ester Nitro

Properties

Molecular formula: C₈H₆BrNO₄
Molar mass: 260.04 g/mol
Exact mass: 258.9480 Da
logP: 2.14Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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

6942-36-5

SMILES

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

InChIKey

VSEYYEKRZNRECT-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3

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Work with Methyl 2-bromo-5-nitrobenzoate

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

Dimethyl 4-nitrophthalate610-22-074 % similar Methyl 2-methyl-5-nitrobenzoate77324-87-969 % similar Methyl 5-nitrosalicylate17302-46-467 % similar Methyl 2-fluoro-5-nitrobenzoate2965-22-267 % similar Methyl 2-methoxy-5-nitrobenzoate34841-11-767 % similar Methyl 2-amino-5-nitrobenzoate3816-62-467 % similar Methyl 2-chloro-5-nitrobenzoate6307-82-067 % similar Methyl 2-methyl-4-nitrobenzoate62621-09-465 % similar

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

Same formula

Methyl 2-bromo-4-nitrobenzoate100959-22-6 5-Bromo-2-methyl-3-nitrobenzoic acid107650-20-4 Methyl 4-bromo-3-nitrobenzoate2363-16-8 4-Bromomethyl-3-nitrobenzoic acid55715-03-2 Methyl 3-bromo-5-nitrobenzoate6307-87-5 5'-Bromo-2'-hydroxy-3'-nitroacetophenone70978-54-0 Methyl 5-bromo-2-nitrobenzoate883554-93-6

Elsewhere

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