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2-Bromo-5-(trifluoromethoxy)nitrobenzene

2-Bromo-5-(trifluoromethoxy)nitrobenzene - CAS 95668-21-6

Catalog:	BB041803
Product Name:	2-Bromo-5-(trifluoromethoxy)nitrobenzene
CAS:	95668-21-6
Synonyms:	1-bromo-2-nitro-4-(trifluoromethoxy)benzene; 1-bromo-2-nitro-4-(trifluoromethoxy)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-2-nitro-4-(trifluoromethoxy)benzene
Description:	2-Bromo-5-(trifluoromethoxy)nitrobenzene (CAS# 95668-21-6) is a useful research chemical.
Molecular Weight:	286.00
Molecular Formula:	C7H3BrF3NO3
Canonical SMILES:	C1=CC(=C(C=C1OC(F)(F)F)[N+](=O)[O-])Br
InChI:	InChI=1S/C7H3BrF3NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H
InChI Key:	LHWANFWEBHKYCZ-UHFFFAOYSA-N
MDL:	MFCD13194446
LogP:	3.77910

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Complexity:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.92484
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	284.92484
Rotatable Bond Count:	1
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7