Basic information
- CAS
61142-04-9- Standard SMILES
CCB(CC)OC=C(C)Cc1ccc[nH]1- InChIKey
XPWYYMUEWFJIBR-UHFFFAOYSA-N- Molecular formula
- C12H20BNO
- Average molar mass
- 205.11 g/mol
- Monoisotopic mass
- 205.1637944
Names & identifiers
- Preferred name
- Agn-PC-0JT6PI
- IUPAC
- diethyl-[2-methyl-3-(1H-pyrrol-2-yl)prop-1-enoxy]borane
- English name
- Diethyl[2-methyl-3-(1H-pyrrol-2-yl)-1-propenyloxy]borane
- Molecular formula
- C12H20BNO
- Molecular weight
- 205.1
Names & synonyms
61142-04-9AGN-PC-0JT6PIDTXSID70341977DB-3262252-methyl-3-(1H-pyrrol-2-yl)prop-1-en-1-yl diethylborinateDIETHYL [2-METHYL-3-(1H-PYRROL-2-YL)-1-PROPENYLOXY]BORANEDiethyl[2-methyl-3-(1H-pyrrol-2-yl)-1-propenyloxy]boraneBorinic acid, diethyl-, 2-methyl-3-(1H-pyrrol-2-yl)-1-propenyl ester (9CI)
Database identifiers
- CAS
61142-04-9- PubChem CID
- 577504
- DTXSID
DTXSID70341977
Properties
Computed structural properties
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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