chempirical

Methyl 6-bromonaphthalene-2-carboxylate

C12H9BrO2CAS 33626-98-1265.11 g/mol

Open in Covalent MOL file
OOBr
Aryl halideEster

Properties

Molecular formula
C12H9BrO2
Molar mass
265.11 g/mol
Exact mass
263.9786 Da
Melting point
125–127 °C
logP
3.39Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
33626-98-1
SMILES
COC(=O)c1ccc2cc(Br)ccc2c1
InChIKey
JEUBRLPXJZOGPX-UHFFFAOYSA-N
InChI
InChI=1S/C12H9BrO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3

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Names and synonyms

6 names
  • 2-Naphthalenecarboxylic acid, 6-bromo-, methyl ester
  • 2-Naphthoic acid, 6-bromo-, methyl ester
  • Methyl 6-bromo-2-naphthoate
  • 6-Bromonaphthalene-2-carboxylic acid methyl ester
  • 2-Bromo-6-methoxycarbonylnaphthalene
  • Methyl 6-(3-benzyl-4-((2-methoxyethoxy)methoxy)phenyl)-2-naphthoate

Work with Methyl 6-bromonaphthalene-2-carboxylate

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

2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-377 % similar Methyl 4-bromobenzoate619-42-169 % similar Methyl 2-naphthoate2459-25-868 % similar Methyl 3-bromobenzoate618-89-368 % similar Methyl 3,5-dibromobenzoate51329-15-861 % similar Dimethyl 5-bromoisophthalate51760-21-561 % similar Methyl 5-bromobenzo[B]thiophene-2-carboxylate7312-11-056 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-255 % similar

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

Elsewhere

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