Basic information
- CAS
913835-49-1- Standard SMILES
COc1ccc(CONC(=O)c2ccc(B(O)O)cc2F)cc1- InChIKey
SZEGRCMHYGEWJC-UHFFFAOYSA-N- Molecular formula
- C15H15BFNO5
- Average molar mass
- 319.09 g/mol
- Monoisotopic mass
- 319.1027309
Names & identifiers
- Preferred name
- (3-Fluoro-4-(((4-methoxybenzyl)oxy)carbamoyl)phenyl)boronic acid
- IUPAC
- [3-fluoro-4-[(4-methoxyphenyl)methoxycarbamoyl]phenyl]boronic acid
Names & synonyms
913835-49-1(3-Fluoro-4-(((4-methoxybenzyl)oxy)carbamoyl)phenyl)boronic acid3-FLUORO-4-((4-METHOXYBENZYLOXY)CARBAMOYL)PHENYLBORONIC ACID[3-fluoro-4-[(4-methoxyphenyl)methoxycarbamoyl]phenyl]boronic acid(3-Fluoro-4-{[(4-methoxyphenyl)methoxy]carbamoyl}phenyl)boronic acid(3-Fluoro-4-(((4-methoxybenzyl)oxy)-carbamoyl)phenyl)boronic acidSCHEMBL15331191DTXSID20695578MFCD22421633AKOS015853216CS-0174460(3-Fluoro-4-(((4-methoxybenzyl)oxy)carbamoyl)phenyl)boronicacid
Database identifiers
- CAS
913835-49-1- PubChem CID
- 53405331
- DTXSID
DTXSID20695578
Properties
Computed structural properties
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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