4-Bromoindole-2-carboxylic Acid - CAS 16732-64-2
Catalog: |
BB012382 |
Product Name: |
4-Bromoindole-2-carboxylic Acid |
CAS: |
16732-64-2 |
Synonyms: |
4-bromo-1H-indole-2-carboxylic acid; 4-bromo-1H-indole-2-carboxylic acid |
IUPAC Name: | 4-bromo-1H-indole-2-carboxylic acid |
Description: | 4-Bromoindole-2-carboxylic Acid (CAS# 16732-64-2) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C9H6BrNO2 |
Canonical SMILES: | C1=CC2=C(C=C(N2)C(=O)O)C(=C1)Br |
InChI: | InChI=1S/C9H6BrNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13) |
InChI Key: | SXFVRIRMDXONCT-UHFFFAOYSA-N |
Boiling Point: | 470.9 °C at 760 mmHg |
Density: | 1.838 g/cm3 |
MDL: | MFCD02664468 |
LogP: | 2.62860 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020221811-A1 | Novel oxalyl piperazines active against the hepatitis b virus (hbv) | 20190430 |
WO-2020221826-A1 | Novel indole-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
TW-202106678-A | Novel oxalyl piperazines active against the hepatitis b virus (hbv) | 20190430 |
TW-202106687-A | Novel indole-2-carboxamides active against the hepatitis b virus (hbv) | 20190430 |
WO-2020089455-A1 | 6,7-dihydro-4h-pyrazolo[1,5-a]pyrazine indole-2-carboxamides active against the hepatitis b virus (hbv) | 20181102 |
PMID | Publication Date | Title | Journal |
19301124 | 20090901 | Dietary enrichment with medium chain triglycerides (AC-1203) elevates polyunsaturated fatty acids in the parietal cortex of aged dogs: implications for treating age-related cognitive decline | Neurochemical research |
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: | 3 |
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