1,4-Dihydroquinazolin-5-ylboronic acid
Basic information
- CAS
1309980-92-4- Standard SMILES
OB(O)c1cccc2c1CN=CN2- InChIKey
WKMNVRURPBLWIB-UHFFFAOYSA-N- Molecular formula
- C8H9BN2O2
- Average molar mass
- 175.98 g/mol
- Monoisotopic mass
- 176.0757077
Names & identifiers
- Preferred name
- 1,4-Dihydroquinazolin-5-ylboronic acid
- IUPAC
- 1,4-dihydroquinazolin-5-ylboronic acid
Names & synonyms
1,4-DIHYDROQUINAZOLIN-5-YLBORONIC ACID1309980-92-4(1,4-dihydroquinazolin-5-yl)boronic acidSCHEMBL29956320DTXSID001254652AKOS006309235Boronic acid, B-(1,4-dihydro-5-quinazolinyl)-
Database identifiers
- CAS
1309980-92-4- PubChem CID
- 53427852
- DTXSID
DTXSID001254652
Properties
Computed structural properties
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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