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

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Computed Properties

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

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

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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

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