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benzoic acid, 2-chloro-4,5-difluoro-, 4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl ester
SpectraBase Compound ID XpCg7bfuGg
InChI InChI=1S/C23H12ClF2N3O2/c24-17-11-19(26)18(25)10-16(17)23(30)31-15-7-5-13(6-8-15)9-14(12-27)22-28-20-3-1-2-4-21(20)29-22/h1-11H,(H,28,29)/b14-9+
InChIKey SBFJXFYRXUPGQI-NTEUORMPSA-N
Mol Weight 435.82 g/mol
Molecular Formula C23H12ClF2N3O2
Exact Mass 435.058611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jh9hDG7hPtM
Name 4-[2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl 2-chloro-4,5-difluorobenzoate
Alternate Name(s) 2-Chloro-4,5-difluorobenzoic acid [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] ester [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl] 2-chloro-4,5-difluorobenzoate [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenyl] 2-chloro-4,5-difluoro-benzoate [4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]phenyl] 2-chloranyl-4,5-bis(fluoranyl)benzoate
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Formula C23H12ClF2N3O2
InChI InChI=1S/C23H12ClF2N3O2/c24-17-11-19(26)18(25)10-16(17)23(30)31-15-7-5-13(6-8-15)9-14(12-27)22-28-20-3-1-2-4-21(20)29-22/h1-11H,(H,28,29)/b14-9+
InChIKey SBFJXFYRXUPGQI-NTEUORMPSA-N
Molecular Weight 435.818 g/mol
SMILES [nH]1c2ccccc2nc1\C(=C\c1ccc(OC(c2c(cc(c(c2)F)F)Cl)=O)cc1)C#N
SPLASH splash10-004i-1910200000-57ff1ff466de74097df9
Wiley ID 1463903