2-Nitro-4-chloro-5-(trifluoromethyl)aniline - CAS 167415-22-7

Catalog:	BB012392
Product Name:	2-Nitro-4-chloro-5-(trifluoromethyl)aniline
CAS:	167415-22-7
Synonyms:	4-chloro-2-nitro-5-(trifluoromethyl)aniline; 4-chloro-2-nitro-5-(trifluoromethyl)aniline

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-2-nitro-5-(trifluoromethyl)aniline
Description:	2-Nitro-4-chloro-5-(trifluoromethyl)aniline (CAS# 167415-22-7 ) is a useful research chemical.
Molecular Weight:	240.57
Molecular Formula:	C7H4ClF3N2O2
Canonical SMILES:	C1=C(C(=CC(=C1N)[N+](=O)[O-])Cl)C(F)(F)F
InChI:	InChI=1S/C7H4ClF3N2O2/c8-4-2-6(13(14)15)5(12)1-3(4)7(9,10)11/h1-2H,12H2
InChI Key:	HLEWKRQSGSZHGO-UHFFFAOYSA-N
Boiling Point:	322.6 °C at 760 mmHg
Density:	1.614 g/cm³
MDL:	MFCD03094264
LogP:	3.95360

Publication Number	Title	Priority Date
WO-2011112731-A2	Heterocyclic inhibitors of histamine receptors for the treatment of disease	20100310
US-2010120741-A1	Heterocyclic inhibitors of histamine receptors for the treatment of disease	20080910
US-2011257137-A1	Heterocyclic inhibitors of histamine receptors for the treatment of disease	20080910
US-2012065187-A1	Heterocyclic inhibitors of histamine receptors for the treatment of disease	20080910
WO-2010030785-A2	Heterocyclic inhibitors of histamine receptors for the treatment of disease	20080910

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Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.9913396
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.9913396
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1