| CAS Number | 948581-72-4 |
| Catalog Number | AG019F2O(AGN-PC-0WD7AZ) |
| Chemical Name | 7-Chloro-4-methoxy-1H-indole |
| IUPAC Name | 7-chloro-4-methoxy-1H-indole |
| InChI | InChI=1S/C9H8ClNO/c1-12-8-3-2-7(10)9-6(8)4-5-11-9/h2-5,11H,1H3 |
| InChI Key | KXAKECTWOHCOSY-UHFFFAOYSA-N |
| MDL Number | MFCD11845601 |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.6189 |
| SMILES | COC1=CC=C(Cl)C2=C1C=CN2 |
| Synonyms | 7-chloro-4-methoxy-1H-indole,
948581-72-4,
7-Chloro-4-methoxyindole,
1H-Indole, 7-chloro-4-methoxy-,
SCHEMBL1013714,
1h-indole,7-chloro-4-methoxy-,
KXAKECTWOHCOSY-UHFFFAOYSA-N,
7-Chloro-4-(methyloxy)-1H-indole,
MFCD11845601,
ZINC44184826,
AKOS022794742,
SB15247,
SC-35542,
DB-080136,
FT-0709966,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.619g/mol |
| Monoisotopic Mass | 181.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number