| CAS Number | 939045-17-7 |
| Catalog Number | AG00IZFS(AGN-PC-0WAZCH) |
| Chemical Name | 1-tert-Butyl 2-ethyl 6-bromo-1H-indole-1,2-dicarboxylate |
| IUPAC Name | 1-O-tert-butyl 2-O-ethyl 6-bromoindole-1,2-dicarboxylate |
| InChI | InChI=1S/C16H18BrNO4/c1-5-21-14(19)13-8-10-6-7-11(17)9-12(10)18(13)15(20)22-16(2,3)4/h6-9H,5H2,1-4H3 |
| InChI Key | QXTZSJPXLCWTGK-UHFFFAOYSA-N |
| MDL Number | MFCD12025933 |
| Molecular Formula | C16H18BrNO4 |
| Molecular Weight | 368.2224 |
| SMILES | BrC1=CC=C2C=C(C(=O)OCC)N(C(=O)OC(C)(C)C)C2=C1 |
| Synonyms | 1-(tert-Butyl) 2-ethyl 6-bromo-1H-indole-1,2-dicarboxylate,
939045-17-7,
1-tert-Butyl 2-ethyl 6-bromo-1H-indole-1,2-dicarboxylate,
CTK6F6106,
KS-000024UC,
ZX-AT012959,
MFCD12025933,
ZINC36532830,
AKOS005072386,
ED-0744,
OR16891,
RP17041,
AJ-93095,
TR-064675,
1-tert-butyl 2-ethyl 6-bromoindole-1,2-dicarboxylate,
1-(tert-Butyl)-2-ethyl 6-Bromo-1H-indole-1,2-dicarboxylate,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.227g/mol |
| Monoisotopic Mass | 367.042g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number