Methyl 5-bromo-2-nitrobenzoate

C₈H₆BrNO₄CAS 883554-93-6260.04 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

883554-93-6

SMILES

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

InChIKey

IXVNSGSUEVSJIF-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

5-Bromo-2-nitro-benzoic acid methyl ester

Work with Methyl 5-bromo-2-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

Methyl 5-bromo-2-methyl-3-nitrobenzoate220514-28-368 % similar Methyl 5-fluoro-2-nitrobenzoate393-85-167 % similar Methyl 5-chloro-2-nitrobenzoate51282-49-667 % similar Methyl 2-nitrobenzoate606-27-963 % similar Dimethyl nitroterephthalate5292-45-563 % similar 5-Bromo-2-nitro-benzoic acid6950-43-260 % similar Methyl 3,4-dimethoxy-6-nitrobenzoate26791-93-559 % similar Methyl 2,5-dibromobenzoate57381-43-859 % 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 Methyl 2-bromo-5-nitrobenzoate6942-36-5 5'-Bromo-2'-hydroxy-3'-nitroacetophenone70978-54-0

Elsewhere

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