3-Chloroindazole - CAS 29110-74-5

Catalog:	BB020097
Product Name:	3-Chloroindazole
CAS:	29110-74-5
Synonyms:	3-chloro-2H-indazole

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-2H-indazole
Description:	3-Chloroindazole (CAS# 29110-74-5) is a useful research chemical compound.
Molecular Weight:	152.58
Molecular Formula:	C7H5ClN2
Canonical SMILES:	C1=CC2=C(NN=C2C=C1)Cl
InChI:	InChI=1S/C7H5ClN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)
InChI Key:	QPHAGNNWDZSKJH-UHFFFAOYSA-N
Boiling Point:	155.4 °C at 760 mmHg
Density:	1.425 g/cm³
Appearance:	White to off-white to beige powder
MDL:	MFCD00067527
LogP:	2.21630

Publication Number	Title	Priority Date
WO-2021127333-A1	Trpml modulators	20191219
WO-2020012422-A1	Spirochromane derivatives	20180713
AU-2019300514-A1	Spirochromane derivatives	20180713
KR-20210033002-A	Spirochroman derivative	20180713
TW-202035399-A	Spirochromane derivatives	20180713

PMID	Publication Date	Title	Journal
19679481	20090901	Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation	Bioorganic & medicinal chemistry
7693279	19930901	Inhibition of rat cerebellar nitric oxide synthase by 7-nitro indazole and related substituted indazoles	British journal of pharmacology

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Related Functional Groups

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride

Indazoles

[1341035-91-3]
Ethyl 3-iodo-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
[885520-77-4]
4-Methyl-6-nitro-1H-indazole
[66607-27-0]
3-Iodo-1H-indazole
[353457-63-3]
4-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)aniline
[3176-66-7]
7-Methyl-1H-indazole
[404827-78-7]
4-Fluoro-1H-indazol-3-amine

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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.0141259
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5