4-(Methylcarbamoyl)benzeneboronic acid

C₈H₁₀BNO₃CAS 121177-82-0178.98 g/mol

Open in Covalent MOL file

Amide Boronic acid

Properties

Molecular formula: C₈H₁₀BNO₃
Molar mass: 178.98 g/mol
Exact mass: 179.0754 Da
logP: -1.27Crippen estimate
Polar surface area: 69.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Identifiers

CAS number

121177-82-0

SMILES

B(C1=CC=C(C=C1)C(=O)NC)(O)O

InChIKey

UWKSYZHFTGONHY-UHFFFAOYSA-N

InChI

InChI=1S/C8H10BNO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

4-(N-Methylaminocarbonyl)phenylboronic acid

Work with 4-(Methylcarbamoyl)benzeneboronic 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

4-Acetylphenylboronic acid149104-90-555 % similar 4-Carbamoylphenylboronic acid123088-59-552 % similar 4-Carboxyphenylboronic acid14047-29-152 % similar 4-(Methoxycarbonyl)phenylboronic acid99768-12-450 % similar 4-(Ethoxycarbonyl)phenylboronic acid4334-88-746 % similar B-[4-(1-Piperidinylcarbonyl)phenyl]boronic acid389621-83-443 % similar (4-(Morpholine-4-carbonyl)phenyl)boronic acid389621-84-541 % similar P-Tolylboronic acid5720-05-841 % similar

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

Same formula

4-Acetamidophenylboronic acid101251-09-6

Elsewhere

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