Isoquinolin-1-ylboronic acid
Basic information
- CAS
1219080-58-6- Standard SMILES
OB(O)c1nccc2ccccc12- InChIKey
RVUIQFODKHOTHQ-UHFFFAOYSA-N- Molecular formula
- C9H8BNO2
- Average molar mass
- 172.98 g/mol
- Monoisotopic mass
- 173.0648087
Names & identifiers
- Preferred name
- Isoquinolin-1-ylboronic acid
- IUPAC
- isoquinolin-1-ylboronic acid
- English name
- 1-ISOQUINOLYLBORONIC ACID
- Molecular formula
- C9H8BNO2
- Molecular weight
- 172.98
Names & synonyms
isoquinolin-1-ylboronic acid1219080-58-61-Isoquinolylboronic acid(isoquinolin-1-yl)boronic acidMFCD077802581-Isoquinolineboronic AcidIsoquinolin-?1-?ylboronic acidisoquinoline-1-boronic acidisoquinolinylboronic acidisoquinoline boronic acidisoquinolin-1-ylboronicacidSCHEMBL1190802
Show more names
1-Isoquinolinylboronic acidIsoquinolin-1-ylboronic acid , 1-Isoquinolineboronic acid
SCHEMBL29350664RVUIQFODKHOTHQ-UHFFFAOYSA-NBoronic acid, B-1-isoquinolinyl-AKOS006285666SY034802DB-069472DB-114235EN300-6408002
Database identifiers
- CAS
1219080-58-6- PubChem CID
- 53398519
Properties
Computed structural properties
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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