| CAS Number | 1449581-04-7 |
| Catalog Number | AG003AWB(AGN-PC-0WD7DU) |
| Chemical Name | 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole |
| IUPAC Name | 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
| InChI | InChI=1S/C15H20BNO2/c1-10-9-17-12-8-6-7-11(13(10)12)16-18-14(2,3)15(4,5)19-16/h6-9,17H,1-5H3 |
| InChI Key | RMXKZUOWRUJDOZ-UHFFFAOYSA-N |
| MDL Number | MFCD27987716 |
| Molecular Formula | C15H20BNO2 |
| Molecular Weight | 257.1358 |
| SMILES | CC1=CNC2=CC=CC(=C12)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1449581-04-7,
3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole,
3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole,
SCHEMBL15186947,
RMXKZUOWRUJDOZ-UHFFFAOYSA-N,
MFCD27987716,
AKOS030237693,
SB14945,
3-Methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indole,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.14g/mol |
| Monoisotopic Mass | 257.159g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number