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4-Bromo-alpha,alpha,alpha-Trifluoro-O-Toluidine
SpectraBase Compound ID Ay6KqYljspm
InChI InChI=1S/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
InChIKey PHXGKHTWEOPCEW-UHFFFAOYSA-N
Mol Weight 240.02 g/mol
Molecular Formula C7H5BrF3N
Exact Mass 238.955747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMbBUq7PUT4
Name 4-Bromo-2-trifluoromethylaniline
Alternate Name(s) Benzenamine, 4-bromo-2-(trifluoromethyl)- 2-Amino-5-bromobenzotrifluoride 4-Bromo-2-(trifluoromethyl)aniline 4-bromanyl-2-(trifluoromethyl)aniline o-Toluidine, 4-bromo-.alpha.,.alpha.,.alpha.-trifluoro- [4-bromo-2-(trifluoromethyl)phenyl]amine EINECS 207-150-8 NSC 88311
CAS Registry Number 445-02-3
Comments Less than 3 mono-isotopic peaks
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Formula C7H5BrF3N
InChI InChI=1S/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
InChIKey PHXGKHTWEOPCEW-UHFFFAOYSA-N
Molecular Weight 240.023 g/mol
SMILES Nc1c(C(F)(F)F)cc(cc1)Br
SPLASH splash10-0006-0090000000-6a9b4fb4b106d1525427
Source of Spectrum F-67-1976-2o
Wiley ID 1685981