3-Chloro-6-nitro-1H-indazole - CAS 50593-68-5

Catalog:	BB027124
Product Name:	3-Chloro-6-nitro-1H-indazole
CAS:	50593-68-5
Synonyms:	3-chloro-6-nitro-2H-indazole; 3-chloro-6-nitro-2H-indazole

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-6-nitro-2H-indazole
Description:	3-Chloro-6-nitro-1H-indazole (CAS# 50593-68-5) is a useful research chemical.
Molecular Weight:	197.58
Molecular Formula:	C7H4ClN3O2
Canonical SMILES:	C1=CC2=C(NN=C2C=C1[N+](=O)[O-])Cl
InChI:	InChI=1S/C7H4ClN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
InChI Key:	IBTQINLHMGQUJU-UHFFFAOYSA-N
Boiling Point:	234.7 °C at 760 mmHg
Density:	1.661 g/cm³
MDL:	MFCD00010741
LogP:	2.64770

Publication Number	Title	Priority Date
CA-3061609-A1	Method for producing difluoromethylene compound	20170428
EP-3617197-A1	Method for producing difluoromethylene compound	20170428
JP-WO2018199284-A1	Method for producing difluoromethylene compound	20170428
KR-20190141752-A	Preparation of Difluoromethylene Compound	20170428
TW-201843141-A	Method for producing difluoromethane compound	20170428

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

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Related Functional Groups

Indazoles

[253801-04-6]
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[290368-00-2]
1-Boc-3-iodo-1H-indazole
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4-Amino-6-bromo-1H-indazole
[1095539-84-6]
6-Bromo-1,3-dimethyl-1H-indazole
[807287-45-2]
3-(Chloromethyl)-4,5,6,7-tetrahydro-1H-indazole

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Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.9992041
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.9992041
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3