Methyl 7-Chloroindole-3-carboxylate - CAS 1260836-55-2
Catalog: |
BB006417 |
Product Name: |
Methyl 7-Chloroindole-3-carboxylate |
CAS: |
1260836-55-2 |
Synonyms: |
7-chloro-1H-indole-3-carboxylic acid methyl ester; methyl 7-chloro-1H-indole-3-carboxylate |
IUPAC Name: | methyl 7-chloro-1H-indole-3-carboxylate |
Description: | Methyl 7-Chloroindole-3-carboxylate (CAS# 1260836-55-2 ) is a useful research chemical. |
Molecular Weight: | 209.63 |
Molecular Formula: | C10H8ClNO2 |
Canonical SMILES: | COC(=O)C1=CNC2=C1C=CC=C2Cl |
InChI: | InChI=1S/C10H8ClNO2/c1-14-10(13)7-5-12-9-6(7)3-2-4-8(9)11/h2-5,12H,1H3 |
InChI Key: | LTAGUMGLNICZSD-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
AU-2018218965-A1 | Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same | 20170207 |
AU-2018218965-B2 | Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same | 20170207 |
CA-3049643-A1 | Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same | 20170207 |
EP-3580208-A1 | Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same | 20170207 |
JP-2020506197-A | Novel heterocyclic compound, production method thereof and pharmaceutical composition containing the same | 20170207 |
Complexity: | 234 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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