5-Chloro-1H-indazole-3-carboxylic Acid - CAS 1077-95-8

Catalog:	BB002128
Product Name:	5-Chloro-1H-indazole-3-carboxylic Acid
CAS:	1077-95-8
Synonyms:	5-chloro-1H-indazole-3-carboxylic acid; 5-chloro-1H-indazole-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-1H-indazole-3-carboxylic acid
Description:	5-Chloro-1H-indazole-3-carboxylic Acid (CAS# 1077-95-8) is a useful research chemical.
Molecular Weight:	196.59
Molecular Formula:	C8H5ClN2O2
Canonical SMILES:	C1=CC2=C(C=C1Cl)C(=NN2)C(=O)O
InChI:	InChI=1S/C8H5ClN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)
InChI Key:	WHAJIAULUPQHHZ-UHFFFAOYSA-N
Boiling Point:	472.1 °C at 760 mmHg
Density:	1.644 g/cm³
MDL:	MFCD02326712
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
EP-3541805-B1	Heteroaryl-substituted triazoles as apj receptor agonists	20161116
US-11046680-B1	Heteroaryl-substituted triazoles as APJ receptor agonists	20161116
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

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2