2-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)

C8H10BClO3CAS 313545-44-7200.42 g/mol

Open in Covalent MOL file
BOClHOHO
Aryl halideBoronic acidEther

Properties

Molecular formula
C8H10BClO3
Molar mass
200.42 g/mol
Exact mass
200.0412 Da
logP
0.42Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
313545-44-7
SMILES
B(C1=C(C=C(C=C1)OCC)Cl)(O)O
InChIKey
GMFQJZUNQAJZDH-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BClO3/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5,11-12H,2H2,1H3

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

Names and synonyms

1 names
  • 2-Chloro-4-ethoxyphenylboronic acid

Work with 2-Chloro-4-ethoxyphenylboronic Acid (contains varying amounts of Anhydride)

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-Ethoxy-2-methylphenylboronic acid313545-31-265 % similar 2-Chloro-4-methoxyphenylboronic acid219735-99-664 % similar 2-Chloro-1,4-diethoxybenzene52196-74-458 % similar 3-Ethoxybenzeneboronic acid90555-66-155 % similar (6-Ethoxynaphthalen-2-yl)boronic acid352525-98-554 % similar 4-Ethoxyphenylboronic acid22237-13-453 % similar 2,4-Dichlorophenylboronic acid68716-47-250 % similar (3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid909122-50-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-ethoxyphenylboronic acid279261-81-3 5-Chloro-2-ethoxyphenylboronic acid352534-86-2

Elsewhere

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