| CAS Number | 124589-41-9 |
| Catalog Number | AG007PE8(AGN-PC-005BB3) |
| Chemical Name | 3-chloro-1-methyl-1h-indole |
| IUPAC Name | 3-chloro-1-methylindole |
| InChI | InChI=1S/C9H8ClN/c1-11-6-8(10)7-4-2-3-5-9(7)11/h2-6H,1H3 |
| InChI Key | NTDMKGOOZUQYDH-UHFFFAOYSA-N |
| MDL Number | MFCD12924749 |
| Molecular Formula | C9H8ClN |
| Molecular Weight | 165.6195 |
| SMILES | CN1C=C(Cl)C2=C1C=CC=C2 |
| Synonyms | 3-Chloro-1-methyl-1H-indole,
124589-41-9,
1H-Indole, 3-chloro-1-methyl-,
3-chloro-N-methylindole,
ACMC-20mr41,
1-Methyl-3-chloro-1H-indole,
SCHEMBL13459846,
CTK0F7125,
DTXSID10460095,
MFCD12924749,
ZINC86485926,
AKOS017516150,
AS-44513,
3-chloro-1-methyl-indole,
CID11252201,
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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 | 165.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.62g/mol |
| Monoisotopic Mass | 165.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 4.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number