| CAS Number | 2102451-30-7 |
| Catalog Number | AG00IMNN(AGN-PC-3H4E9B) |
| Chemical Name | (1-(Tert-Butoxycarbonyl)-1H-Indol-4-Yl)Boronic Acid |
| IUPAC Name | [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]boronic acid |
| InChI | InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-8-7-9-10(14(17)18)5-4-6-11(9)15/h4-8,17-18H,1-3H3 |
| InChI Key | JFCFJRCULIWLNL-UHFFFAOYSA-N |
| MDL Number | MFCD28130132 |
| Molecular Formula | C13H16BNO4 |
| Molecular Weight | 261.0814 |
| SMILES | C(C)(C)(C)OC(=O)N1C=CC2=C(C=CC=C12)B(O)O |
| Synonyms | (1-(tert-Butoxycarbonyl)-1H-indol-4-yl)boronic acid,
N-Boc-4-indoleboronic acid,
2102451-30-7,
AK163372,
N-Boc-indole-4-boronic acid,
KS-00000SO9,
AKOS024464799,
ZINC169748317,
ACN-032485,
AM86066,
DS-8051,
4CH-026399,
ST24033491,
N/A,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.117238g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.08g/mol |
| Monoisotopic Mass | 261.117238g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number