5-Fluoro-3-methyl-2-nitroaniline - CAS 468741-19-7

Catalog:	BB026193
Product Name:	5-Fluoro-3-methyl-2-nitroaniline
CAS:	468741-19-7
Synonyms:	5-fluoro-3-methyl-2-nitroaniline; 5-fluoro-3-methyl-2-nitroaniline

Technical Data

Patents

Computed Properties

IUPAC Name:	5-fluoro-3-methyl-2-nitroaniline
Description:	5-Fluoro-3-methyl-2-nitroaniline (CAS# 468741-19-7 ) is a useful research chemical.
Molecular Weight:	170.14
Molecular Formula:	C7H7FN2O2
Canonical SMILES:	CC1=CC(=CC(=C1[N+](=O)[O-])N)F
InChI:	InChI=1S/C7H7FN2O2/c1-4-2-5(8)3-6(9)7(4)10(11)12/h2-3H,9H2,1H3
InChI Key:	GRVCMTABBYJKTD-UHFFFAOYSA-N
LogP:	2.72890

Publication Number	Title	Priority Date
WO-2019242689-A1	Cyano-substituted pyridine and cyano-substituted pyrimidine compound, and preparation method and application thereof	20180622
CN-112313207-A	Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof	20180622
EP-1651611-A2	Benzimidazole c-2 heterocycles as kinase inhibitors	20030729
US-2005054655-A1	Benzimidazole C-2 heterocycles as kinase inhibitors	20030729
US-7312215-B2	Benzimidazole C-2 heterocycles as kinase inhibitors	20030729

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Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.04915563
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.04915563
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1