8-Bromo-1-naphthalenecarboxylic acid

C₁₁H₇BrO₂CAS 1729-99-3251.08 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: 178 °C
logP: 3.30Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

1729-99-3

SMILES

O=C(O)c1cccc2cccc(Br)c12

InChIKey

DMEZDDHJCUHENA-UHFFFAOYSA-N

InChI

InChI=1S/C11H7BrO2/c12-9-6-2-4-7-3-1-5-8(10(7)9)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

3 names

1-Naphthalenecarboxylic acid, 8-bromo-
1-Naphthoic acid, 8-bromo-
8-Bromo-1-naphthoic acid

Work with 8-Bromo-1-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-Bromobenzoic acid88-65-363 % similar Naphthalamic acid5811-88-162 % similar 3-Bromo-2-chlorobenzoic acid56961-27-461 % similar 3-Bromo-2-fluorobenzoic acid161957-56-859 % similar 2-Amino-3-bromobenzoic acid20776-51-659 % similar 1-Naphthoic acid86-55-555 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-252 % similar Phthalic acid88-99-352 % similar

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

Same formula

5-Bromonaphthalene-2-carboxylic acid1013-83-8 1-Bromo-2-naphthalenecarboxylic acid20717-79-7 6-Bromo-2-naphthalenecarboxylic acid5773-80-8

Elsewhere

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