5-Cyano-1H-indole-2-boronic acid

Name: 5-Cyano-1H-indole-2-boronic acid
SKU: ACMA00015276
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Catalog NumberACMA00015276

CategorySalt

IUPAC Name

(5-cyano-1H-indol-2-yl)boronic acid

Molecular Weight

185.98g/mol

Molecular Formula

C9H7BN2O2

Canonical SMILES

B(C1=CC2=C(N1)C=CC(=C2)C#N)(O)O

InChI

InChI=1S/C9H7BN2O2/c11-5-6-1-2-8-7(3-6)4-9(12-8)10(13)14/h1-4,12-14H

InChI Key

UALSJXICMYXRMN-UHFFFAOYSA-N

Complexity

263

Covalently-Bonded Unit Count

Exact Mass

186.060058g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

186.060058g/mol

Rotatable Bond Count

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