2-(4-Bromo-7-fluoro-3-indolyl)-2-oxoacetic Acid - CAS 1154742-87-6
Catalog: |
BB003573 |
Product Name: |
2-(4-Bromo-7-fluoro-3-indolyl)-2-oxoacetic Acid |
CAS: |
1154742-87-6 |
Synonyms: |
2-(4-bromo-7-fluoro-1H-indol-3-yl)-2-oxoacetic acid; 2-(4-bromo-7-fluoro-1H-indol-3-yl)-2-oxoacetic acid |
IUPAC Name: | 2-(4-bromo-7-fluoro-1H-indol-3-yl)-2-oxoacetic acid |
Description: | 2-(4-Bromo-7-fluoro-3-indolyl)-2-oxoacetic Acid (CAS# 1154742-87-6 ) is a useful research chemical. |
Molecular Weight: | 286.05 |
Molecular Formula: | C10H5BrFNO3 |
Canonical SMILES: | C1=CC(=C2C(=CNC2=C1F)C(=O)C(=O)O)Br |
InChI: | InChI=1S/C10H5BrFNO3/c11-5-1-2-6(12)8-7(5)4(3-13-8)9(14)10(15)16/h1-3,13H,(H,15,16) |
InChI Key: | HBPLJRLSJLMDJK-UHFFFAOYSA-N |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.94368 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.94368 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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