4-Chloro-7-methyl-1h-indole-2-carboxylic acid - CAS 383132-47-6
Catalog: |
BB069376 |
Product Name: |
4-Chloro-7-methyl-1h-indole-2-carboxylic acid |
CAS: |
383132-47-6 |
Synonyms: |
4-chloro-7-methyl-1H-indole-2-carboxylic Acid; 4-chloro-7-methyl-1H-indole-2-carboxylicAcid |
IUPAC Name: | 4-chloro-7-methyl-1H-indole-2-carboxylic acid |
Description: | 4-Chloro-7-methyl-1h-indole-2-carboxylic acid |
Molecular Weight: | 209.63 |
Molecular Formula: | C10H8ClNO2 |
Canonical SMILES: | CC1=C2C(=C(C=C1)Cl)C=C(N2)C(=O)O |
InChI: | InChI=1S/C10H8ClNO2/c1-5-2-3-7(11)6-4-8(10(13)14)12-9(5)6/h2-4,12H,1H3,(H,13,14) |
InChI Key: | FWQYHOVIKRXVTJ-UHFFFAOYSA-N |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0243562 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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