chempirical

1-Naphthylboronic acid

C10H9BO2CAS 13922-41-3171.99 g/mol

Open in Covalent MOL file
HOBHO
Boronic acid

Properties

Molecular formula
C10H9BO2
Molar mass
171.99 g/mol
Exact mass
172.0696 Da
Melting point
202 °C
logP
0.52Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
13922-41-3
SMILES
OB(O)c1cccc2ccccc12
InChIKey
HUMMCEUVDBVXTQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H9BO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,12-13H

Weigh it out

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

Names and synonyms

11 names
  • Boronic acid, B-1-naphthalenyl-
  • 1-Naphthaleneboronic acid
  • Boronic acid, 1-naphthalenyl-
  • B-1-Naphthalenylboronic acid
  • α-Naphthaleneboronic acid
  • 1-Naphthylboric acid
  • (1-Naphthalenyl)boronic acid
  • NSC 78936
  • α-Naphthylboronic acid
  • (Naphthalen-1-yl)boronic acid
  • (1-Naphthalyl)boronic acid

Work with 1-Naphthylboronic 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

(4-Methyl-1-naphthalene)boronic acid103986-53-450 % similar 4-Dibenzothiopheneboronic acid108847-20-750 % similar B-1-Dibenzofuranylboronic acid162607-19-450 % similar B-(4-Fluoro-1-naphthalenyl)boronic acid182344-25-850 % similar Thianthrene-1-boronic acid108847-76-348 % similar B-[2-(9H-Carbazol-9-yl)phenyl]boronic acid1189047-28-647 % similar 2-Methylphenylboronic acid16419-60-646 % similar B-(2-Aminophenyl)boronic acid5570-18-346 % similar

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

Same formula

2-Naphthylboronic acid32316-92-0

Elsewhere

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