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Structure

1-Methyl-1H-indazol-6-boronic acid

CAS
1150114-80-9
Catalog Number
ACM1150114809
Category
Other Products; Boronic Acids
Molecular Weight
175.98g/mol
Molecular Formula
C8H9BN2O2

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Specification

IUPAC Name
(1-methylindazol-6-yl)boronic acid
Canonical SMILES
B(C1=CC2=C(C=C1)C=NN2C)(O)O
InChI
InChI=1S/C8H9BN2O2/c1-11-8-4-7(9(12)13)3-2-6(8)5-10-11/h2-5,12-13H,1H3
InChI Key
OMVQAWCHQBKZCF-UHFFFAOYSA-N
Complexity
191
Covalently-Bonded Unit Count
1
Exact Mass
176.075708g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
13
Monoisotopic Mass
176.075708g/mol
Rotatable Bond Count
1
What is the molecular formula of 1-Methyl-1H-indazol-6-boronic acid?

The molecular formula is C8H9BN2O2.

What is the molecular weight of 1-Methyl-1H-indazol-6-boronic acid?

The molecular weight is 175.98 g/mol.

What is the IUPAC name of 1-Methyl-1H-indazol-6-boronic acid?

The IUPAC name is (1-methylindazol-6-yl)boronic acid.

What is the InChI of 1-Methyl-1H-indazol-6-boronic acid?

The InChI is InChI=1S/C8H9BN2O2/c1-11-8-4-7(9(12)13)3-2-6(8)5-10-11/h2-5,12-13H,1H3.

What is the InChIKey of 1-Methyl-1H-indazol-6-boronic acid?

The InChIKey is OMVQAWCHQBKZCF-UHFFFAOYSA-N.

What is the Canonical SMILES of 1-Methyl-1H-indazol-6-boronic acid?

The Canonical SMILES is B(C1=CC2=C(C=C1)C=NN2C)(O)O.

What is the CAS number of 1-Methyl-1H-indazol-6-boronic acid?

The CAS number is 1150114-80-9.

What is the EC number of 1-Methyl-1H-indazol-6-boronic acid?

The EC number is 687-325-7.

What is the DSSTox Substance ID of 1-Methyl-1H-indazol-6-boronic acid?

The DSSTox Substance ID is DTXSID60656769.

Is 1-Methyl-1H-indazol-6-boronic acid a canonicalized compound?

Yes, it is a canonicalized compound.

Downstream Synthesis Route 1

  • 32084-59-6
  • 1150114-80-9
  • 1327160-11-1

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 3152 - 3158

Downstream Synthesis Route 2

  • 32084-59-6
  • 1150114-80-9
  • 1327166-33-5

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 3152 - 3158

Downstream Synthesis Route 3

  • 1150114-80-9
  • 1367874-63-2
  • 1367875-46-4

Reference: [1]Patent: WO2012/38743,2012,A1 .Location in patent: Page/Page column 183

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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