5-Bromo-3-indolecarboxylic Acid - CAS 10406-06-1
Catalog: |
BB001314 |
Product Name: |
5-Bromo-3-indolecarboxylic Acid |
CAS: |
10406-06-1 |
Synonyms: |
5-bromo-1H-indole-3-carboxylic acid; 5-bromo-1H-indole-3-carboxylic acid |
IUPAC Name: | 5-bromo-1H-indole-3-carboxylic acid |
Description: | 5-Bromo-3-indolecarboxylic Acid (CAS# 10406-06-1) is a useful intermediate used in the synthesis of indole derivatives that functions as inhibitors for the vascular endothelial growth factor receptor 2 (VEGFR-2) tyrosine kinase. |
Molecular Weight: | 240.05 |
Molecular Formula: | C9H6BrNO2 |
Canonical SMILES: | C1=CC2=C(C=C1Br)C(=CN2)C(=O)O |
InChI: | InChI=1S/C9H6BrNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13) |
InChI Key: | JVZMBSGNSAHFCY-UHFFFAOYSA-N |
Boiling Point: | 470.9 °C at 760 mmHg |
Density: | 1.838 g/cm3 |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD05664007 |
LogP: | 2.62860 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210076876-A | Novel indazole derivatives and use thereof | 20191216 |
WO-2021125802-A1 | Novel indazole derivative, and use thereof | 20191216 |
WO-2021067801-A1 | Compounds and compositions for treating conditions associated with sting activity | 20191003 |
WO-2021067805-A1 | Oxalamide heterobycyclic compounds and compositions for treating conditions associated with sting activity | 20191003 |
WO-2020106695-A1 | Methods of treating cancer | 20181119 |
Complexity: | 222 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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