Methyl 5-Nitro-1H-indazole-3-carboxylate - CAS 78155-75-6

Catalog:	BB036117
Product Name:	Methyl 5-Nitro-1H-indazole-3-carboxylate
CAS:	78155-75-6
Synonyms:	5-nitro-1H-indazole-3-carboxylic acid methyl ester; methyl 5-nitro-1H-indazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-nitro-1H-indazole-3-carboxylate
Description:	Methyl 5-Nitro-1H-indazole-3-carboxylate (CAS# 78155-75-6) is a useful research chemical.
Molecular Weight:	221.17
Molecular Formula:	C9H7N3O4
Canonical SMILES:	COC(=O)C1=NNC2=C1C=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C9H7N3O4/c1-16-9(13)8-6-4-5(12(14)15)2-3-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChI Key:	TUUGVBZYZYAHPC-UHFFFAOYSA-N
Boiling Point:	440 °C at 760 mmHg
Density:	1.527 g/cm³
Appearance:	Solid
LogP:	1.78090

Publication Number	Title	Priority Date
AU-2008262412-A1	Polycyclic indazole derivatives and their use as ERK inhibitors for the treatment of cancer	20070605
AU-2008262412-A2	Polycyclic indazole derivatives and their use as ERK inhibitors for the treatment of cancer	20070605
CA-2694860-A1	Polycyclic indazole derivatives and their use as erk inhibitors for the treatment of cancer	20070605
CN-101815711-A	Polycyclic indazole derivatives and their use as erk inhibitors for the treatment of cancer	20070605
EP-2155722-A1	Polycyclic indazole derivatives and their use as erk inhibitors for the treatment of cancer	20070605

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Complexity:	304
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.04365571
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.04365571
Rotatable Bond Count:	2
Topological Polar Surface Area:	101
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6