Ethyl 2-(4-Bromo-5-methyl-3-indolyl)-2-oxoacetate - CAS 2097800-31-0
Catalog: |
BB016488 |
Product Name: |
Ethyl 2-(4-Bromo-5-methyl-3-indolyl)-2-oxoacetate |
CAS: |
2097800-31-0 |
Synonyms: |
2-(4-bromo-5-methyl-1H-indol-3-yl)-2-oxoacetic acid ethyl ester; ethyl 2-(4-bromo-5-methyl-1H-indol-3-yl)-2-oxoacetate |
IUPAC Name: | ethyl 2-(4-bromo-5-methyl-1H-indol-3-yl)-2-oxoacetate |
Description: | Ethyl 2-(4-Bromo-5-methyl-3-indolyl)-2-oxoacetate (CAS# 2097800-31-0 ) is a useful research chemical. |
Molecular Weight: | 310.14 |
Molecular Formula: | C13H12BrNO3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=CNC2=C1C(=C(C=C2)C)Br |
InChI: | InChI=1S/C13H12BrNO3/c1-3-18-13(17)12(16)8-6-15-9-5-4-7(2)11(14)10(8)9/h4-6,15H,3H2,1-2H3 |
InChI Key: | RFGGZSCDCOYDMU-UHFFFAOYSA-N |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.00006 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.00006 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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