chempirical

6-Bromo-2-naphthalenecarboxylic acid

C11H7BrO2CAS 5773-80-8251.08 g/mol

Open in Covalent MOL file
OHOBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C11H7BrO2
Molar mass
251.08 g/mol
Exact mass
249.9629 Da
Melting point
286 °C
logP
3.30Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
5773-80-8
SMILES
O=C(O)c1ccc2cc(Br)ccc2c1
InChIKey
NPMCAVBMOTZUPD-UHFFFAOYSA-N
InChI
InChI=1S/C11H7BrO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2-Naphthalenecarboxylic acid, 6-bromo-
  • 2-Naphthoic acid, 6-bromo-
  • 6-Bromo-2-naphthoic acid
  • 6-Bromo-2-naphthylacetic acid
  • 2-Bromo-6-naphthoic acid

Work with 6-Bromo-2-naphthalenecarboxylic acid

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-Naphthalenedicarboxylic acid1141-38-474 % similar 6-Hydroxy-2-naphthoic acid16712-64-466 % similar 4-Bromobenzoic acid586-76-566 % similar 3-Bromobenzoic acid585-76-265 % similar 2-Naphthoic acid93-09-465 % similar 2-Anthracenecarboxylic acid613-08-163 % similar 7-Bromo-3-hydroxy-2-naphthalenecarboxylic acid1779-11-959 % similar 6-Amino-2-naphthoic acid116668-47-459 % similar

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

Same formula

5-Bromonaphthalene-2-carboxylic acid1013-83-8 8-Bromo-1-naphthalenecarboxylic acid1729-99-3 1-Bromo-2-naphthalenecarboxylic acid20717-79-7

Elsewhere

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