Methyl 4,5-Difluoro-2-nitrobenzoate - CAS 1015433-96-1

Name: Methyl 4,5-Difluoro-2-nitrobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB000529
Product Name:	Methyl 4,5-Difluoro-2-nitrobenzoate
CAS:	1015433-96-1
Synonyms:	4,5-difluoro-2-nitrobenzoic acid methyl ester; methyl 4,5-difluoro-2-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4,5-difluoro-2-nitrobenzoate
Description:	Methyl 4,5-Difluoro-2-nitrobenzoate (CAS# 1015433-96-1) is a useful research chemical.
Molecular Weight:	217.13
Molecular Formula:	C8H5F2NO4
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])F)F
InChI:	InChI=1S/C8H5F2NO4/c1-15-8(12)4-2-5(9)6(10)3-7(4)11(13)14/h2-3H,1H3
InChI Key:	JHWZADUIXGMAKM-UHFFFAOYSA-N
LogP:	2.18280

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

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Publication Number	Title	Priority Date
AU-2007299723-A1	Nitrogen containing substituted heterocycles as platelet ADP receptor inhibitors	20060920
CA-2664411-A1	Platelet adp receptor inhibitors	20060920
EP-2094272-A2	Nitrogen containing substituted heterocycles as platelet adp receptor inhibitors	20060920
EP-2094272-B1	Nitrogen containing substituted heterocycles as platelet adp receptor inhibitors	20060920
JP-2010504357-A	Nitrogen-containing substituted heterocycles as platelet ADP receptor inhibitors	20060920

Complexity:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.01866396
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.01866396
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9