chempirical

2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)

C8H11BO2CAS 90002-36-1149.98 g/mol

Open in Covalent MOL file
BHOHO
Boronic acid

Properties

Molecular formula
C8H11BO2
Molar mass
149.98 g/mol
Exact mass
150.0852 Da
logP
-0.07Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
90002-36-1
SMILES
B(C1=CC=CC=C1CC)(O)O
InChIKey
QSSPYZOSTJDTTL-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6,10-11H,2H2,1H3

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Names and synonyms

1 names
  • 2-Ethylphenylboronic acid

Work with 2-Ethylphenylboronic 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

2-(N,N-Dimethylaminomethyl)phenylboronic acid85107-53-563 % similar 2-Hydroxymethylphenylboronic acid87199-14-261 % similar [2-(Bromomethyl)phenyl]boronic acid91983-14-159 % similar 2-Methoxymethylphenylboronic acid126617-98-958 % similar 1,2-Diethylbenzene135-01-354 % similar (2-Ethoxyphenyl)boronic acid213211-69-948 % similar 2-Ethylthiophenylboronic acid362045-33-848 % similar 2-Isopropylbenzeneboronic acid89787-12-248 % similar

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

Same formula

2,6-Dimethylphenylboronic acid100379-00-8 (3,5-Dimethylphenyl)boronic acid172975-69-8 2,3-Dimethylphenylboronic acid183158-34-1 Phenylethane boronic acid34420-17-2 3,4-Dimethylphenylboronic acid55499-43-9 B-(2,4-Dimethylphenyl)boronic acid55499-44-0 (4-Ethylphenyl)boronic acid63139-21-9 (2,5-Dimethylphenyl)boronic acid85199-06-0

Elsewhere

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