7-Bromo-5-methylisatin - CAS 108938-16-5
Catalog: |
BB002363 |
Product Name: |
7-Bromo-5-methylisatin |
CAS: |
108938-16-5 |
Synonyms: |
7-bromo-5-methyl-1H-indole-2,3-dione; 7-bromo-5-methyl-1H-indole-2,3-dione |
IUPAC Name: | 7-bromo-5-methyl-1H-indole-2,3-dione |
Description: | 7-Bromo-5-methylisatin (CAS# 108938-16-5) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C9H6BrNO2 |
Canonical SMILES: | CC1=CC(=C2C(=C1)C(=O)C(=O)N2)Br |
InChI: | InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13) |
InChI Key: | NPDJRIGMWAQKTQ-UHFFFAOYSA-N |
Density: | 1.714 g/cm3 |
LogP: | 2.03030 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-105001220-A | Preparation method of indoloquinoline alkaloid analogues | 20150729 |
CN-105001220-B | Preparation method of indoloquinoline alkaloid analogues | 20150729 |
CA-2934391-A1 | Glucose transport inhibitors | 20131220 |
EP-3083598-A1 | Glucose transport inhibitors | 20131220 |
JP-2017500333-A | Glucose transport inhibitor | 20131220 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.95819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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