1-Methy-1H-Indol-3-Carbonyl Chloride - CAS 126921-19-5
Catalog: |
BB059620 |
Product Name: |
1-Methy-1H-Indol-3-Carbonyl Chloride |
CAS: |
126921-19-5 |
Synonyms: |
1-METHYL-1H-INDOLE-3-CARBONYL CHLORIDE; 1-METHYLINDOLE-3-CARBONYL CHLORIDE; 1-Methyl-1H-indole-3-carboxylic acid chloride |
IUPAC Name: | 1-methylindole-3-carbonyl chloride |
Description: | 1-Methyl-1H-indole-3-carbonyl Chloride has been used as a reactant in the preparation of indolo[2,3-a]pyrimido[5,4-c]carbazole derivatives as anti-cancer agents. |
Molecular Weight: | 193.63 |
Molecular Formula: | C10H8ClNO |
Canonical SMILES: | CN1C=C(C2=CC=CC=C21)C(=O)Cl |
InChI: | InChI=1S/C10H8ClNO/c1-12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-6H,1H3 |
InChI Key: | MCDFXFLLOVQTLA-UHFFFAOYSA-N |
References: | Pierce, L.T., et. al. Eur. J. Med. Chem., 56, 292 (2012). |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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