5-Bromo-3,7-dimethyl-1H-indazole - CAS 1031417-71-6

Catalog:	BB001026
Product Name:	5-Bromo-3,7-dimethyl-1H-indazole
CAS:	1031417-71-6
Synonyms:	5-bromo-3,7-dimethyl-2H-indazole; 5-bromo-3,7-dimethyl-2H-indazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-3,7-dimethyl-2H-indazole
Description:	5-Bromo-3,7-dimethyl-1H-indazole (CAS# 1031417-71-6) is a useful research chemical compound.
Molecular Weight:	225.09
Molecular Formula:	C9H9BrN2
Canonical SMILES:	CC1=CC(=CC2=C(NN=C12)C)Br
InChI:	InChI=1S/C9H9BrN2/c1-5-3-7(10)4-8-6(2)11-12-9(5)8/h3-4H,1-2H3,(H,11,12)
InChI Key:	XQNOSHGIULZYET-UHFFFAOYSA-N
Boiling Point:	357.2 °C at 760 mmHg
Density:	1.564 g/cm³
LogP:	2.94220

Publication Number	Title	Priority Date
CN-108467386-B	Fused heteroaryl substituted 1,2, 4-triazine-3-amine derivatives, preparation method and medical application thereof	20170223
CA-2724774-A1	Pyrazolospiroketone acetyl-coa carboxylase inhibitors	20080528
EP-2297163-A1	Pyrazolospiroketone acetyl-c0a carboxylase inhibitors	20080528
EP-2297163-B1	Pyrazolospiroketone acetyl-CoA carboxylase inhibitors	20080528
ES-2545231-T3	Pyrazoloespirocetone acetyl-CoA carboxylase inhibitors	20080528

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Related Functional Groups

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Indazole
[4498-67-3]
Indazole-3-carboxylic acid
[1082041-85-7]
5-Bromo-4-fluoro-1H-indazole
[290368-00-2]
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[43120-28-1]
Methyl 1H-indazole-3-carboxylate
[1260381-83-6]
5-Bromo-7-fluoro-1H-indazole

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.99491
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.99491
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3