Ethyl 6-Bromo-5-methoxyindole-2-carboxylate - CAS 128593-40-8
Catalog: |
BB006912 |
Product Name: |
Ethyl 6-Bromo-5-methoxyindole-2-carboxylate |
CAS: |
128593-40-8 |
Synonyms: |
6-bromo-5-methoxy-1H-indole-2-carboxylic acid ethyl ester; ethyl 6-bromo-5-methoxy-1H-indole-2-carboxylate |
IUPAC Name: | ethyl 6-bromo-5-methoxy-1H-indole-2-carboxylate |
Description: | Ethyl 6-Bromo-5-methoxyindole-2-carboxylate (CAS# 128593-40-8 ) is a useful research chemical. |
Molecular Weight: | 298.13 |
Molecular Formula: | C12H12BrNO3 |
Canonical SMILES: | CCOC(=O)C1=CC2=CC(=C(C=C2N1)Br)OC |
InChI: | InChI=1S/C12H12BrNO3/c1-3-17-12(15)10-4-7-5-11(16-2)8(13)6-9(7)14-10/h4-6,14H,3H2,1-2H3 |
InChI Key: | NXCJORQJZBIJRV-UHFFFAOYSA-N |
LogP: | 3.11570 |
Publication Number | Title | Priority Date |
EP-3312172-A1 | Aminopyrazole derivatives | 20150617 |
EP-3312172-B1 | Aminopyrazole derivatives useful as src kinase inhibitors | 20150617 |
JP-WO2016204261-A1 | Aminopyrazole derivatives | 20150617 |
US-10479780-B2 | Aminopyrazole derivatives | 20150617 |
US-2018362509-A1 | Aminopyrazole derivatives | 20150617 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.00006 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.00006 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 51.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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