Methyl 5-Chloro-1H-indazole-3-carboxylate - CAS 1079-46-5

Catalog:	BB002151
Product Name:	Methyl 5-Chloro-1H-indazole-3-carboxylate
CAS:	1079-46-5
Synonyms:	5-chloro-1H-indazole-3-carboxylic acid methyl ester; methyl 5-chloro-1H-indazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-chloro-1H-indazole-3-carboxylate
Description:	Methyl 5-Chloro-1H-indazole-3-carboxylate (CAS# 1079-46-5) is a useful research chemical.
Molecular Weight:	210.62
Molecular Formula:	C9H7ClN2O2
Canonical SMILES:	COC(=O)C1=NNC2=C1C=C(C=C2)Cl
InChI:	InChI=1S/C9H7ClN2O2/c1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)
InChI Key:	OFHGAYNAKIWVOL-UHFFFAOYSA-N
Boiling Point:	378.737 °C at 760 mmHg
Density:	1.453 g/cm³
LogP:	2.00290

Publication Number	Title	Priority Date
WO-2021046789-A1	Indazole-carboxamide derivative and use thereof	20190912
CN-112805282-A	Indazole-carboxamide derivatives and uses thereof	20190912
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
AU-2014373735-A1	Therapeutic inhibitory compounds	20131230
AU-2014373735-B2	Therapeutic inhibitory compounds	20131230

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Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0196052
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.0196052
Rotatable Bond Count:	2
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4