| CAS Number | 280563-07-7 |
| Catalog Number | AG007LLZ(AGN-PC-006RXV) |
| Chemical Name | 5-Iodo-1-methyl-1H-indole |
| IUPAC Name | 5-iodo-1-methylindole |
| InChI | InChI=1S/C9H8IN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3 |
| InChI Key | DYHWMNMFESGBJZ-UHFFFAOYSA-N |
| MDL Number | MFCD11044847 |
| Molecular Formula | C9H8IN |
| Molecular Weight | 257.0710 |
| SMILES | CN1C=CC2=C1C=CC(I)=C2 |
| Synonyms | 1-Methyl-5-iodo-1H-indole,
5-iodo-1-methyl-1H-indole,
280563-07-7,
1H-Indole, 5-iodo-1-methyl-,
1-Methyl-5-iodoindole,
SCHEMBL3138035,
CTK0J2233,
DTXSID20462368,
DYHWMNMFESGBJZ-UHFFFAOYSA-N,
MFCD11044847,
ZINC33426784,
AKOS022254424,
FT-0767500,
5-iodo-1-methyl-indole,
CID11322835,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.074g/mol |
| Monoisotopic Mass | 256.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 4.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number