(4-Chloronaphthalen-1-yl)boronic acid

C10H8BClO2CAS 147102-97-4206.43 g/mol

Open in Covalent MOL file
BClHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C10H8BClO2
Molar mass
206.43 g/mol
Exact mass
206.0306 Da
logP
1.17Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
147102-97-4
SMILES
B(C1=CC=C(C2=CC=CC=C12)Cl)(O)O
InChIKey
PIHWNQAUHGAUGC-UHFFFAOYSA-N
InChI
InChI=1S/C10H8BClO2/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,13-14H

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Names and synonyms

1 names
  • Boronic acid, (4-chloro-1-naphthalenyl)- (9ci)

Work with (4-Chloronaphthalen-1-yl)boronic 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-Chlorophenylboronic acid3900-89-857 % similar 1-Naphthylboronic acid13922-41-355 % similar (4-Methyl-1-naphthalene)boronic acid103986-53-455 % similar 4-Bromo-1-naphthaleneboronic Acid145965-14-655 % similar 4-Fluoro-1-naphthaleneboronic Acid (contains varying amounts of Anhydride)182344-25-855 % similar B-(2,3,4-Trichlorophenyl)boronic acid352530-21-353 % similar Fluoranthene-3-boronic acid359012-63-853 % similar 4-Phenylnaphthalene-1-boronic Acid372521-91-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook