Basic information
- CAS
13251-29-1- Standard SMILES
CCCCOB(CI)OCCCC- InChIKey
JTBKQQJNWZOKCS-UHFFFAOYSA-N- Molecular formula
- C9H20BIO2
- Average molar mass
- 297.97 g/mol
- Monoisotopic mass
- 298.06011
Overview
used in synthesis of benzamidomethaneboronic acid; structure given in first source
Names & identifiers
- Preferred name
- Dibutyl iodomethaneboronate
- IUPAC
- dibutoxy(iodomethyl)borane
- English name
- dibutyl iodomethaneboronate
- Molecular formula
- C9H20BIO2
- Molecular weight
- 297.97
Names & synonyms
Dibutyl iodomethaneboronate13251-29-1DTXSID80157607Boronic acid, (iodomethyl)-, dibutyl esterRefChem:132938DTXCID4080098dibutyl (iodomethyl)boronateNSC 150868NSC150868NSC-150868Boronic acid, (iodomethyl)-, dibutyl ester (9CI)
Database identifiers
- CAS
13251-29-1- PubChem CID
- 98591
- DTXSID
DTXSID80157607
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 93.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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