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Methyl 1-Acetyl-6-bromo-1H-indazole-4-carboxylate

Methyl 1-Acetyl-6-bromo-1H-indazole-4-carboxylate - CAS 1346597-55-4

Catalog:	BB007977
Product Name:	Methyl 1-Acetyl-6-bromo-1H-indazole-4-carboxylate
CAS:	1346597-55-4
Synonyms:	1-acetyl-6-bromo-4-indazolecarboxylic acid methyl ester; methyl 1-acetyl-6-bromoindazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 1-acetyl-6-bromoindazole-4-carboxylate
Description:	Methyl 1-Acetyl-6-bromo-1H-indazole-4-carboxylate (CAS# 1346597-55-4) is a useful research chemical.
Molecular Weight:	297.10
Molecular Formula:	C11H9BrN2O3
Canonical SMILES:	CC(=O)N1C2=C(C=N1)C(=CC(=C2)Br)C(=O)OC
InChI:	InChI=1S/C11H9BrN2O3/c1-6(15)14-10-4-7(12)3-8(11(16)17-2)9(10)5-13-14/h3-5H,1-2H3
InChI Key:	OPFAXWVSQSRJFT-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
LogP:	2.24550

Publication Number	Title	Priority Date
AU-2012223448-A1	Substituted 6,5-fused bicyclic heteroaryl compounds	20110228
AU-2012223448-B2	Substituted 6,5-fused bicyclic heteroaryl compounds	20110228
AU-2017204062-A1	Substituted 6,5-fused bicyclic heteroaryl compounds	20110228
EP-2681216-A2	Substituted 6,5-fused bicyclic heteroaryl compounds	20110228
EP-2681216-B1	Substituted 6,5-fused bicyclic heteroaryl compounds	20110228

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Complexity:	337
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.97965
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	295.97965
Rotatable Bond Count:	2
Topological Polar Surface Area:	61.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2