Structure

Indole-6-boronic acid

CAS
147621-18-9
Catalog Number
ACM147621189
Category
Boronic Acids
Molecular Weight
160.97g/mol
Molecular Formula
C8H8BNO2

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Specification

IUPAC Name
1H-indol-6-ylboronic acid
Canonical SMILES
B(C1=CC2=C(C=C1)C=CN2)(O)O
InChI
InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H
InChI Key
ZVMHOIWRCCZGPZ-UHFFFAOYSA-N
Complexity
165
Covalently-Bonded Unit Count
1
Exact Mass
161.064809g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
3
Heavy Atom Count
12
Monoisotopic Mass
161.064809g/mol
Rotatable Bond Count
1
What is the PubChem CID for Indole-6-boronic acid?

PubChem CID 2763205

What is the molecular formula for Indole-6-boronic acid?

The molecular formula is C8H8BNO2.

What is the molecular weight of Indole-6-boronic acid?

The molecular weight is 160.97 g/mol.

What is the IUPAC name of Indole-6-boronic acid?

The IUPAC name is 1H-indol-6-ylboronic acid.

What is the InChI of Indole-6-boronic acid?

The InChI is InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H.

What is the InChIKey of Indole-6-boronic acid?

The InChIKey is ZVMHOIWRCCZGPZ-UHFFFAOYSA-N.

What is the canonical SMILES of Indole-6-boronic acid?

The canonical SMILES is B(C1=CC2=C(C=C1)C=CN2)(O)O.

What is the CAS number of Indole-6-boronic acid?

The CAS number is 147621-18-9.

What is the European Community (EC) number of Indole-6-boronic acid?

The EC number is 627-185-6.

Is Indole-6-boronic acid a canonicalized compound?

Yes, Indole-6-boronic acid is a canonicalized compound.

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