3-Chloro-5-nitro-1H-indazole - CAS 4812-45-7

Catalog:	BB026496
Product Name:	3-Chloro-5-nitro-1H-indazole
CAS:	4812-45-7
Synonyms:	3-chloro-5-nitro-2H-indazole; 3-chloro-5-nitro-2H-indazole

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-5-nitro-2H-indazole
Description:	3-Chloro-5-nitro-1H-indazole (CAS# 4812-45-7) is a useful research chemical.
Molecular Weight:	197.58
Molecular Formula:	C7H4ClN3O2
Canonical SMILES:	C1=CC2=NNC(=C2C=C1[N+](=O)[O-])Cl
InChI:	InChI=1S/C7H4ClN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)
InChI Key:	UOWPRWCAMGTPHI-UHFFFAOYSA-N
Boiling Point:	234.7 °C at 760 mmHg
Density:	1.661 g/cm³
Appearance:	Solid
MDL:	MFCD00005692
LogP:	2.64770

Publication Number	Title	Priority Date
WO-2019145729-A1	Heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase	20180125
AU-2019213214-A1	Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase	20180125
BR-112020013759-A2	heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase	20180125
CN-111655681-A	Heterocyclylamino-substituted triazoles as modulators of Rho-associated protein kinase	20180125
EP-3743420-A1	Heterocyclylamino-substituted triazoles as modulators of rho-associated protein kinase	20180125

PMID	Publication Date	Title	Journal
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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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