2-(6-Bromo-3-indolyl)-2-oxoacetic Acid - CAS 927676-51-5
Catalog: |
BB040610 |
Product Name: |
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid |
CAS: |
927676-51-5 |
Synonyms: |
2-(6-bromo-1H-indol-3-yl)-2-oxoacetic acid; 2-(6-bromo-1H-indol-3-yl)-2-oxoacetic acid |
IUPAC Name: | 2-(6-bromo-1H-indol-3-yl)-2-oxoacetic acid |
Description: | 2-(6-Bromo-3-indolyl)-2-oxoacetic Acid (CAS# 927676-51-5) is a useful research chemical. |
Molecular Weight: | 268.06 |
Molecular Formula: | C10H6BrNO3 |
Canonical SMILES: | C1=CC2=C(C=C1Br)NC=C2C(=O)C(=O)O |
InChI: | InChI=1S/C10H6BrNO3/c11-5-1-2-6-7(9(13)10(14)15)4-12-8(6)3-5/h1-4,12H,(H,14,15) |
InChI Key: | QUZIHUPGUBHRRE-UHFFFAOYSA-N |
LogP: | 2.19770 |
Publication Number | Title | Priority Date |
CN-112074516-A | NLRP3 modulators | 20180425 |
JP-WO2018164214-A1 | Plant growth regulator | 20170308 |
WO-2018164214-A1 | Plant growth regulator | 20170308 |
US-2021235697-A1 | Plant growth regulator | 20170308 |
AU-2009265292-A1 | Calcium ion channel modulators and uses thereof | 20080703 |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.95311 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.95311 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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