Ethyl 5-Methyl-2,4-dinitrobenzoate - CAS 103039-34-5

Catalog:	BB000999
Product Name:	Ethyl 5-Methyl-2,4-dinitrobenzoate
CAS:	103039-34-5
Synonyms:	5-methyl-2,4-dinitrobenzoic acid ethyl ester; ethyl 5-methyl-2,4-dinitrobenzoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 5-methyl-2,4-dinitrobenzoate
Description:	Ethyl 5-Methyl-2,4-dinitrobenzoate (CAS# 103039-34-5 ) is a useful research chemical.
Molecular Weight:	254.20
Molecular Formula:	C10H10N2O6
Canonical SMILES:	CCOC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C
InChI:	InChI=1S/C10H10N2O6/c1-3-18-10(13)7-4-6(2)8(11(14)15)5-9(7)12(16)17/h4-5H,3H2,1-2H3
InChI Key:	IUNWYBCKKXSNTK-UHFFFAOYSA-N
LogP:	3.03450

Publication Number	Title	Priority Date
US-2012309758-A1	Modulators of atp-binding cassette transporters	20101210
US-8802700-B2	Modulators of ATP-Binding Cassette transporters	20101210
AU-2010327993-A1	4-oxo-1H-quinoline-3-carboxamides as modulators of ATP-Binding cassette transporters	20091211
CA-2783314-A1	4-oxo-1h-quinoline-3-carboxamides as modulators of atp-binding cassette transporters	20091211
EP-2509954-A1	4 -oxo- 1h -quinoline- 3 - carboxamides as modulators of atp -binding cassette transporters	20091211

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Complexity:	347
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.05388604
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	254.05388604
Rotatable Bond Count:	3
Topological Polar Surface Area:	118
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2