chempirical

(2-Methoxy-1-naphthyl)boronic acid

C11H11BO3CAS 104116-17-8202.02 g/mol

Open in Covalent MOL file
BOOHHO
Boronic acidEther

Properties

Molecular formula
C11H11BO3
Molar mass
202.02 g/mol
Exact mass
202.0801 Da
logP
0.53Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
104116-17-8
SMILES
B(C1=C(C=CC2=CC=CC=C12)OC)(O)O
InChIKey
NHVWTZOWDLOBBS-UHFFFAOYSA-N
InChI
InChI=1S/C11H11BO3/c1-15-10-7-6-8-4-2-3-5-9(8)11(10)12(13)14/h2-7,13-14H,1H3

Weigh it out

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

Names and synonyms

1 names
  • (2-Methoxynaphthalen-1-yl)boronic acid

Work with (2-Methoxy-1-naphthyl)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

2,6-Dimethoxyphenylboronic acid23112-96-159 % similar 2,2'-Dimethoxy-1,1'-binaphthyl35294-28-158 % similar (S)-(-)-2,2'-Dimethoxy-1,1'-binaphthalene75640-87-858 % similar (R)-(+)-2,2'-Dimethoxy-1,1'-binaphthyl75685-01-758 % similar 1-Bromo-2-methoxynaphthalene3401-47-653 % similar 9-Anthraceneboronic acid100622-34-252 % similar 1-Methoxynaphthalene2216-69-552 % similar 2-Chloro-6-methoxyphenylboronic acid385370-80-951 % similar

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

Same formula

3-Methoxynaphthalene-2-boronic acid104115-76-6 6-Methoxy-2-naphthaleneboronic acid156641-98-4

Elsewhere

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