| CAS Number | 1423037-53-9 |
| Catalog Number | AG009X8K(AGN-PC-0WA4CN) |
| Chemical Name | 1-BOC-3-[hydroxy(thiophen-2-yl)methyl]indole |
| IUPAC Name | tert-butyl 3-[hydroxy(thiophen-2-yl)methyl]indole-1-carboxylate |
| InChI | InChI=1S/C18H19NO3S/c1-18(2,3)22-17(21)19-11-13(12-7-4-5-8-14(12)19)16(20)15-9-6-10-23-15/h4-11,16,20H,1-3H3 |
| InChI Key | TURJSXLXTAJRCP-UHFFFAOYSA-N |
| MDL Number | MFCD23135934 |
| Molecular Formula | C18H19NO3S |
| Molecular Weight | 329.4134 |
| SMILES | OC(c1cn(c2c1cccc2)C(=O)OC(C)(C)C)c1cccs1 |
| Synonyms | 1-BOC-3-[hydroxy(thiophen-2-yl)methyl]indole,
1423037-53-9,
AKOS026673366,
V3198,
C18H19NO3S,
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| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.414g/mol |
| Monoisotopic Mass | 329.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number