chempirical

2-Acetamidophenylboronic acid

C8H10BNO3CAS 169760-16-1178.98 g/mol

Open in Covalent MOL file
BNHOOHHO
AmideBoronic acid

Properties

Molecular formula
C8H10BNO3
Molar mass
178.98 g/mol
Exact mass
179.0754 Da
logP
-0.68Crippen estimate
Polar surface area
69.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
169760-16-1
SMILES
B(C1=CC=CC=C1NC(=O)C)(O)O
InChIKey
UMOPBIVXPOETPG-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BNO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5,12-13H,1H3,(H,10,11)

Weigh it out

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Work with 2-Acetamidophenylboronic 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

B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid756520-78-249 % similar 2-Acetylphenylboronic acid308103-40-449 % similar 2-Methylphenylboronic acid16419-60-644 % similar 1-Methyl 2-boronobenzoate374538-03-141 % similar 1-Ethyl 2-boronobenzoate380430-53-539 % similar 2-Methoxymethylphenylboronic acid126617-98-938 % similar 2-Methylsulfanylphenylboronic acid168618-42-637 % similar 2,3-Dimethylphenylboronic acid183158-34-137 % similar

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

Same formula

4-Acetamidophenylboronic acid101251-09-6 4-(Methylcarbamoyl)benzeneboronic acid121177-82-0

Elsewhere

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