Ethyl 4,5-Difluoro-2-nitrobenzoate - CAS 1214387-06-0

Catalog:	BB005167
Product Name:	Ethyl 4,5-Difluoro-2-nitrobenzoate
CAS:	1214387-06-0
Synonyms:	4,5-difluoro-2-nitrobenzoic acid ethyl ester; ethyl 4,5-difluoro-2-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4,5-difluoro-2-nitrobenzoate
Description:	Ethyl 4,5-Difluoro-2-nitrobenzoate (CAS# 1214387-06-0) is a useful research chemical.
Molecular Weight:	231.15
Molecular Formula:	C9H7F2NO4
Canonical SMILES:	CCOC(=O)C1=CC(=C(C=C1[N+](=O)[O-])F)F
InChI:	InChI=1S/C9H7F2NO4/c1-2-16-9(13)5-3-6(10)7(11)4-8(5)12(14)15/h3-4H,2H2,1H3
InChI Key:	CWBDZGOBRZAYMQ-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	2.57290

Publication Number	Title	Priority Date
AU-2010233594-A1	Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof	20090409
AU-2010233594-B2	Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof	20090409
CA-2758233-A1	Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof	20090409
EA-021765-B1	HINAZOLINDION DERIVATIVES, THEIR RECEIVING AND THEIR DIFFERENT THERAPEUTIC APPLICATIONS	20090409
EP-2417130-A2	Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof	20090409

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.03431403
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.03431403
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2