6-Chloro-1H-indazole-3-carboxylic Acid - CAS 129295-31-4

Catalog:	BB006979
Product Name:	6-Chloro-1H-indazole-3-carboxylic Acid
CAS:	129295-31-4
Synonyms:	6-chloro-1H-indazole-3-carboxylic acid; 6-chloro-1H-indazole-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	6-chloro-1H-indazole-3-carboxylic acid
Description:	6-Chloro-1H-indazole-3-carboxylic Acid (CAS# 129295-31-4) is a useful research chemical.
Molecular Weight:	196.59
Molecular Formula:	C8H5ClN2O2
Canonical SMILES:	C1=CC2=C(C=C1Cl)NN=C2C(=O)O
InChI:	InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)10-11-7(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:	MCGHMISXTKQRRF-UHFFFAOYSA-N
Boiling Point:	472.131 °C at 760 mmHg
Density:	1.644 g/cm³
Appearance:	Yellow solid
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD05663998
LogP:	1.91450

Publication Number	Title	Priority Date
US-2020299285-A1	Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective mcl-1 inhibitors and as dual mcl-1/bcl-2 inhibitors	20190321
WO-2016007837-A1	Carbonyl linked bicyclic heteroaryl antibiotic tolerance inhibitors	20140711
EP-3154974-A1	Tricyclic compounds as alpha- 7 nicotinic acetylcholine receptor ligands	20140613
EP-3154974-B1	Tricyclic compounds as alpha- 7 nicotinic acetylcholine receptor ligands	20140613
ES-2708965-T3	Tricyclic compounds as ligands of the acetylcholine nicotinic-7-nicotinic receptor	20140613

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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+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, and P501
Signal Word:	Warning

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.0039551
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	196.0039551
Rotatable Bond Count:	1
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2