1-Bromo-2-naphthalenecarboxylic acid

C₁₁H₇BrO₂CAS 20717-79-7251.08 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₇BrO₂
Molar mass: 251.08 g/mol
Exact mass: 249.9629 Da
Melting point: 260 °C
logP: 3.30Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

20717-79-7

SMILES

O=C(O)c1ccc2ccccc2c1Br

InChIKey

VUVIRKAVBZITDO-UHFFFAOYSA-N

InChI

InChI=1S/C11H7BrO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14)

Weigh it out

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

Names and synonyms

4 names

2-Naphthalenecarboxylic acid, 1-bromo-
2-Naphthoic acid, 1-bromo-
1-Bromo-2-naphthoic acid
JFD 03900

Work with 1-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

1-Hydroxy-2-naphthoic acid86-48-663 % similar 1-Naphthoic acid86-55-561 % similar 1,4-Naphthalenedicarboxylic acid605-70-958 % similar 2-Bromo-3-fluorobenzoic acid132715-69-650 % similar 2-Hydroxy-1-naphthoic acid2283-08-150 % similar 2-Bromobenzoic acid88-65-350 % similar 1-Bromo-2-hydroxynaphthalene573-97-749 % similar Phthalic acid88-99-348 % 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 6-Bromo-2-naphthalenecarboxylic acid5773-80-8

Elsewhere

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