3-Methyl-5-nitro-1H-indazole - CAS 40621-84-9

Catalog:	BB024591
Product Name:	3-Methyl-5-nitro-1H-indazole
CAS:	40621-84-9
Synonyms:	3-methyl-5-nitro-2H-indazole; 3-methyl-5-nitro-2H-indazole

Technical Data

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Computed Properties

IUPAC Name:	3-methyl-5-nitro-2H-indazole
Description:	3-Methyl-5-nitro-1H-indazole (CAS# 40621-84-9) is a useful research chemical.
Molecular Weight:	177.16
Molecular Formula:	C8H7N3O2
Canonical SMILES:	CC1=C2C=C(C=CC2=NN1)[N+](=O)[O-]
InChI:	InChI=1S/C8H7N3O2/c1-5-7-4-6(11(12)13)2-3-8(7)10-9-5/h2-4H,1H3,(H,9,10)
InChI Key:	ZGDNJFXKELMVLS-UHFFFAOYSA-N
Boiling Point:	225.2 °C at 760 mmHg
Density:	1.437 g/cm³
MDL:	MFCD07082699
LogP:	2.30270

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
KR-20200076808-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219
KR-102128509-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219

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Related Functional Groups

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4-Methyl-6-nitro-1H-indazole

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Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.053826475
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.053826475
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8