Basic information
- CAS
1259394-65-4- Standard SMILES
CCCCOC(=O)Nc1ccc(B(O)O)cc1- InChIKey
JGIBXFXNISHHTO-UHFFFAOYSA-N- Molecular formula
- C11H16BNO4
- Average molar mass
- 237.06 g/mol
- Monoisotopic mass
- 237.1172382
Names & identifiers
- Preferred name
- 4-(Butoxycarbonylamino)phenylboronic acid
- IUPAC
- [4-(butoxycarbonylamino)phenyl]boronic acid
- English name
- 4-BUTOXYCARBONYLAMINOPHENYLBORONIC ACID
- Molecular formula
- C11H16BNO4
- Molecular weight
- 237.06
Names & synonyms
1259394-65-44-(BUTOXYCARBONYLAMINO)PHENYLBORONIC ACID4-(N-Butoxycarbonyl)aminophenylboronic acid[4-(butoxycarbonylamino)phenyl]boronic acid(4-((Butoxycarbonyl)amino)phenyl)boronic acid4-ButoxycarbonylaminophenylboronicacidSCHEMBL918235AB159754-BUTOXYCARBONYLAMINOPHENYLBORONIC ACID
Database identifiers
- CAS
1259394-65-4- PubChem CID
- 17750429
Properties
Computed structural properties
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 8 · 8+-.0.17(Predicted)
Chemistry & industry
Suppliers2 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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