5-Bromonaphthalene-2-carboxylic acid

C₁₁H₇BrO₂CAS 1013-83-8251.08 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
logP: 3.30Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

1013-83-8

SMILES

C1=CC2=C(C=CC(=C2)C(=O)O)C(=C1)Br

InChIKey

QPOQPJDDJJNVRY-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

5-Bromo-2-naphthoic acid

Work with 5-Bromonaphthalene-2-carboxylic 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-Anthracenecarboxylic acid613-08-157 % similar 2,6-Naphthalenedicarboxylic acid1141-38-456 % similar Bromoterephthalic acid586-35-656 % similar 4-Bromo-1,3-benzenedicarboxylic acid6939-93-156 % similar 3-Bromobenzoic acid585-76-254 % similar 3-Bromo-4-hydroxybenzoic acid14348-41-554 % similar Isophthalic acid121-91-553 % similar 3-Bromo-4-fluorobenzoic acid1007-16-553 % similar

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

Same formula

8-Bromo-1-naphthalenecarboxylic acid1729-99-3 1-Bromo-2-naphthalenecarboxylic acid20717-79-7 6-Bromo-2-naphthalenecarboxylic acid5773-80-8

Elsewhere

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