| CAS Number | 406170-08-9 |
| Catalog Number | AG00C7NL(AGN-PC-0786AZ) |
| Chemical Name | tert-Butyl 4-chloro-3-iodo-1H-indole-1-carboxylate |
| IUPAC Name | tert-butyl 4-chloro-3-iodoindole-1-carboxylate |
| InChI | InChI=1S/C13H13ClINO2/c1-13(2,3)18-12(17)16-7-9(15)11-8(14)5-4-6-10(11)16/h4-7H,1-3H3 |
| InChI Key | ZBQBNVGPPMFZTI-UHFFFAOYSA-N |
| MDL Number | MFCD05864779 |
| Molecular Formula | C13H13ClINO2 |
| Molecular Weight | 377.6053 |
| SMILES | CC(OC(N1C2=C(C(=CC=C2)Cl)C(I)=C1)=O)(C)C |
| Synonyms | tert-butyl 4-chloro-3-iodo-1H-indole-1-carboxylate,
406170-08-9,
4-CHLORO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
CTK4I3440,
DTXSID70660099,
ZINC2563795,
AKOS027381003,
QC-11262,
Z2798559914,
4-Chloro-3-iodo-1H-indole-1-carboxylic acid tert-butyl ester,
1H-Indole-1-carboxylicacid, 4-chloro-3-iodo-, 1,1-dimethylethyl ester,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 376.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.606g/mol |
| Monoisotopic Mass | 376.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number