Ethyl 5-nitro-1H-imidazole-2-carboxylate - CAS 865998-46-5

Catalog:	BB037996
Product Name:	Ethyl 5-nitro-1H-imidazole-2-carboxylate
CAS:	865998-46-5
Synonyms:	5-nitro-1H-imidazole-2-carboxylic acid ethyl ester; ethyl 5-nitro-1H-imidazole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 5-nitro-1H-imidazole-2-carboxylate
Description:	Ethyl 5-nitro-1H-imidazole-2-carboxylate (CAS# 865998-46-5) is a useful research chemical.
Molecular Weight:	185.14
Molecular Formula:	C6H7N3O4
Canonical SMILES:	CCOC(=O)C1=NC=C(N1)[N+](=O)[O-]
InChI:	InChI=1S/C6H7N3O4/c1-2-13-6(10)5-7-3-4(8-5)9(11)12/h3H,2H2,1H3,(H,7,8)
InChI Key:	YSVPLWXCZZORIO-UHFFFAOYSA-N
Boiling Point:	405.4 °C at 760 mmHg
Density:	1.455 g/cm³
LogP:	1.01780

Publication Number	Title	Priority Date
AU-2012307449-A1	Sulfonic acid salts of heterocyclylamide-substituted imidazoles	20110914
CA-2848806-A1	Sulfonic acid salts of heterocyclylamide-substituted imidazoles	20110914
CA-2848806-C	Sulfonic acid salts of heterocyclylamide-substituted imidazoles	20110914
DE-102011113749-A1	Sulfonic acid salts heterocyclylamide substituted imidazoles	20110914
EP-2755964-A1	Sulfonic acid salts of heterocyclylamide-substituted imidazoles	20110914

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Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.04365571
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.04365571
Rotatable Bond Count:	3
Topological Polar Surface Area:	101
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8