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Basic information
- CAS
1421252-96-1- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(C)c3c(B4OC(C)(C)C(C)(C)O4)cccc32)cc1- InChIKey
GZTCCTNJCYDLNX-UHFFFAOYSA-N- Molecular formula
- C22H26BNO4S
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 411.16755971
Names & identifiers
- Preferred name
- 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indole
- IUPAC
- 3-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
Names & synonyms
SCHEMBL14662819GZTCCTNJCYDLNX-UHFFFAOYSA-NDTXSID6011158243-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indole1421252-96-11H-Indole, 3-methyl-1-[(4-methylphenyl)sulfonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-Methyl-1-(4-methylbenzene-1-sulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
Database identifiers
- CAS
1421252-96-1- PubChem CID
- 71240427
- DTXSID
DTXSID601115824
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 695
Related reactions
4 records
Compound notes
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