chempirical

5-Bromonaphthalene-1-carboxylic acid

C11H7BrO2CAS 16726-67-3251.08 g/mol

Open in Covalent MOL file
BrOOH
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
16726-67-3
SMILES
C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)O
InChIKey
SZFXXNVLSUTKJF-UHFFFAOYSA-N
InChI
InChI=1S/C11H7BrO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,(H,13,14)

Weigh it out

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

Work with 5-Bromonaphthalene-1-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-Bromobenzoic acid88-65-366 % similar 1,4-Naphthalenedicarboxylic acid605-70-964 % similar 3-Bromo-2-chlorobenzoic acid56961-27-463 % similar 1-Naphthoic acid86-55-561 % similar 8-Bromoquinoline-4-carboxylic acid121490-67-361 % similar 3-Bromo-2-fluorobenzoic acid161957-56-861 % similar 2-Amino-3-bromobenzoic acid20776-51-661 % similar 4-Chloronaphthalene-1-carboxylic acid1013-04-356 % similar

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

Same formula

5-Bromonaphthalene-2-carboxylic acid1013-83-8 4-Bromo-1-naphtalenecarboxylic acid16650-55-8 8-Bromo-1-naphthalenecarboxylic acid1729-99-3 5-(4-Bromophenyl)furfural20005-42-9 1-Bromo-2-naphthalenecarboxylic acid20717-79-7 6-Bromo-2-naphthalenecarboxylic acid5773-80-8

Elsewhere

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