CAS
1008106-86-2 Purity
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1008106-86-2 Purity
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(3-Methyl-1H-indazol-5-yl)boronic acid
CAS
1245816-25-4
Catalog Number
ACM1245816254
Category
Boronic Acids
Molecular Weight
175.98
Molecular Formula
C8H9BN2O2
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Specification
Synonyms
3-Methyl-1H-indazole-5-boronic acid, 1245816-25-4, 3-Methyl-1H-indazol-5-yl-5-boronic acid, 3-methyl-1H-indazol-5-ylboronic acid, SureCN5751011, CTK7I2613, MolPort-016-581-666, 1H-3-methyl-indazole-5-boronic acid, AKOS006319201, AG-B-97471, OR40150, PB21094, QC-3989, RP09335, 3-METHYLINDAZOLE-5-BORONIC ACID, 3-methyl-1H-indazol-5-yl-5-boronicacid, AK-47793, BR-47793, KB-12237, KB-32676
IUPAC Name
(3-methyl-2H-indazol-5-yl)boronic acid
Canonical SMILES
B(C1=CC2=C(NN=C2C=C1)C)(O)O
InChI Key
MJPMZQXVUISBFX-UHFFFAOYSA-N
Exact Mass
176.07600
H-Bond Acceptor
3
H-Bond Donor
3
What is the molecular formula of (3-Methyl-1H-indazol-5-yl)boronic acid?
The molecular formula is C8H9BN2O2.
When was (3-Methyl-1H-indazol-5-yl)boronic acid first created on PubChem?
It was first created on July 21, 2009.
What is the IUPAC Name of (3-Methyl-1H-indazol-5-yl)boronic acid?
The IUPAC Name is (3-methyl-2H-indazol-5-yl)boronic acid.
What is the Canonical SMILES representation of (3-Methyl-1H-indazol-5-yl)boronic acid?
The Canonical SMILES representation is B(C1=CC2=C(NN=C2C=C1)C)(O)O.
How many hydrogen bond donor counts are present in (3-Methyl-1H-indazol-5-yl)boronic acid?
There are 3 hydrogen bond donor counts.
What is the exact mass of (3-Methyl-1H-indazol-5-yl)boronic acid?
The exact mass is 176.0757077 g/mol.
What is the topological polar surface area of (3-Methyl-1H-indazol-5-yl)boronic acid?
The topological polar surface area is 69.1Ų.
How many heavy atoms are present in the structure of (3-Methyl-1H-indazol-5-yl)boronic acid?
There are 13 heavy atoms.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the InChIKey of (3-Methyl-1H-indazol-5-yl)boronic acid?
The InChIKey is MJPMZQXVUISBFX-UHFFFAOYSA-N.
Downstream Synthesis Route 1
- 1245816-25-4
- 864773-79-5
- 864773-80-8
Reference: [1]Patent: WO2005/85227,2005,A1 .Location in patent: Page/Page column 48
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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