Methyl 1H-Indazole-5-carboxylate - CAS 473416-12-5

Catalog:	BB026261
Product Name:	Methyl 1H-Indazole-5-carboxylate
CAS:	473416-12-5
Synonyms:	1H-indazole-5-carboxylic acid methyl ester; methyl 1H-indazole-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 1H-indazole-5-carboxylate
Description:	Methyl 1H-Indazole-5-carboxylate (CAS# 473416-12-5) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C9H8N2O2
Canonical SMILES:	COC(=O)C1=CC2=C(C=C1)NN=C2
InChI:	InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-8-7(4-6)5-10-11-8/h2-5H,1H3,(H,10,11)
InChI Key:	LPLOEZPPYOSNEW-UHFFFAOYSA-N
Boiling Point:	345.233 °C at 760 mmHg
Density:	1.325 g/cm³
MDL:	MFCD07371609
LogP:	1.34950

Publication Number	Title	Priority Date
CN-112300134-A	ASK1 inhibitor and derivative thereof, preparation method, pharmaceutical composition and application	20201030
WO-2021127166-A1	Inhibitors of enl/af9 yeats	20191217
KR-20210069567-A	Sphingosine-1-phosphate receptor agonists, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent	20191203
WO-2021112461-A1	Sphingosine-1-phosphate receptor agonist, preparation method therefor, and pharmaceutical composition comprising same as active agent	20191203
CN-112759541-A	Indole-like derivatives and uses thereof	20191021

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Related Functional Groups

Indazoles

[1171215-61-4]
Ethyl 2-[2-(1-ethylpyrazol-3-yl)benzimidazolyl]acetate
[271-44-3]
Indazole
[4498-67-3]
Indazole-3-carboxylic acid
[13744-68-8]
N1-(6-Indazolyl)sulfanilamide
[1260381-83-6]
5-Bromo-7-fluoro-1H-indazole
[1000341-72-9]
7-Bromo-4-fluoro-1H-indazole

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.058577502
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1