Basic information
- CAS
1228431-87-5- Standard SMILES
OB(O)c1cc(Cl)ncn1- InChIKey
LYIKZFHVDSRWBC-UHFFFAOYSA-N- Molecular formula
- C4H4BClN2O2
- Average molar mass
- 158.35 g/mol
- Monoisotopic mass
- 158.0054352
Names & identifiers
- Preferred name
- (6-Chloropyrimidin-4-yl)boronic acid
- IUPAC
- (6-chloropyrimidin-4-yl)boronic acid
Names & synonyms
(6-chloropyrimidin-4-yl)boronic acid1228431-87-56-Chloropyrimidine-4-boronicacid6-Chloropyrimidine-4-boronic acidSCHEMBL89442084-Chloropyrimidine-6-boronic acidDTXSID801282891AKOS006288072SB57219B-(6-Chloro-4-pyrimidinyl)boronic acidDB-023331
Database identifiers
- CAS
1228431-87-5- PubChem CID
- 53398577
- DTXSID
DTXSID801282891
Properties
Computed structural properties
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 115
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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