9-Ethylcarbazole-3-boronic Acid

C14H14BNO2CAS 669072-93-9239.08 g/mol

Open in Covalent MOL file
BNHOHO
Boronic acid

Properties

Molecular formula
C14H14BNO2
Molar mass
239.08 g/mol
Exact mass
239.1118 Da
logP
1.49Crippen estimate
Polar surface area
45.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

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
669072-93-9
SMILES
B(C1=CC2=C(C=C1)N(C3=CC=CC=C32)CC)(O)O
InChIKey
JUBKLYCRFZTXBA-UHFFFAOYSA-N
InChI
InChI=1S/C14H14BNO2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15(17)18)7-8-14(12)16/h3-9,17-18H,2H2,1H3

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Names and synonyms

1 names
  • 9-Ethyl-3-carbazole boronic acid

Work with 9-Ethylcarbazole-3-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

9-Ethylcarbazole86-28-261 % similar 9-Phenyl-9H-carbazole-3-boronic acid854952-58-260 % similar 3-Amino-9-ethylcarbazole132-32-157 % similar [9-(2-Naphthalenyl)-9H-carbazole-3-yl] boronic acid1133057-98-355 % similar 9-Ethyl-3-carbazolecarboxaldehyde7570-45-853 % similar 9-Ethyl-3-nitro-9H-carbazole86-20-450 % similar (9-Phenyl-9H-carbazol-2-yl)boronic acid1001911-63-249 % similar 3-(9H-Carbazol-9-yl)phenylboronic acid864377-33-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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