3-Chloro-5-nitrobenzotrifluoride - CAS 401-93-4

Catalog:	BB024359
Product Name:	3-Chloro-5-nitrobenzotrifluoride
CAS:	401-93-4
Synonyms:	1-chloro-3-nitro-5-(trifluoromethyl)benzene; 1-chloro-3-nitro-5-(trifluoromethyl)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-chloro-3-nitro-5-(trifluoromethyl)benzene
Description:	3-Chloro-5-nitrobenzotrifluoride (CAS# 401-93-4) is a useful research chemical.
Molecular Weight:	225.55
Molecular Formula:	C7H3ClF3NO2
Canonical SMILES:	C1=C(C=C(C=C1[N+](=O)[O-])Cl)C(F)(F)F
InChI:	InChI=1S/C7H3ClF3NO2/c8-5-1-4(7(9,10)11)2-6(3-5)12(13)14/h1-3H
InChI Key:	ZQXCQTAELHSNAT-UHFFFAOYSA-N
Boiling Point:	203.4 °C at 760 mmHg
Density:	1.537 g/cm³
MDL:	MFCD03412202
LogP:	3.79020

Publication Number	Title	Priority Date
CN-111909122-A	Diamine monomer containing 2, 5-furan dimethanol structure and preparation method thereof, polyimide film and preparation method thereof	20200817
CN-101687881-A	Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function	20070627
EP-2170899-A1	Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function	20070627
JP-2010531894-A	Condensed heterocyclic compounds useful as modulators of nuclear hormone receptor function	20070627
US-2010331324-A1	Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function	20070627

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Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.9804405
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.9804405
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3