Basic information
- CAS
1106692-01-6- Standard SMILES
OB(O)c1ccc2c(c1)CCN2Cc1ccccc1- InChIKey
SMFVPKLSRGRXAW-UHFFFAOYSA-N- Molecular formula
- C15H16BNO2
- Average molar mass
- 253.11 g/mol
- Monoisotopic mass
- 253.1274089
Names & identifiers
- Preferred name
- 1-(Benzyl)-5-indolineboronic acid
- IUPAC
- (1-benzyl-2,3-dihydroindol-5-yl)boronic acid
Names & synonyms
(1-Benzylindolin-5-yl)boronic acid1106692-01-61-(BENZYL)-5-INDOLINEBORONIC ACIDSCHEMBL29953097DTXSID901193944AKOS004119302AB30079(1-Benzyl-2,3-dihydro-1H-indol-5-yl)boronic acidB-[2,3-Dihydro-1-(phenylmethyl)-1H-indol-5-yl]boronic acid
Database identifiers
- CAS
1106692-01-6- PubChem CID
- 23005331
- DTXSID
DTXSID901193944
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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