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3-Chloro-4-fluorobenzoic acid
SpectraBase Compound ID CJDOHRAX1n4
InChI InChI=1S/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey PKTSBFXIHLYGEY-UHFFFAOYSA-N
Mol Weight 174.56 g/mol
Molecular Formula C7H4ClFO2
Exact Mass 173.988385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PofYdLkpc
Name 3-Chloro-4-fluorobenzoic acid
Alternate Name(s) 3-Chloranyl-4-fluoranyl-benzoic acid
CAS Registry Number 403-16-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClFO2
InChI InChI=1S/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey PKTSBFXIHLYGEY-UHFFFAOYSA-N
Molecular Weight 174.558 g/mol
SMILES OC(c1cc(c(cc1)F)Cl)=O
SPLASH splash10-0adi-0900000000-f437f2522111a38977a9
Source of Spectrum AC-133-137-4
Wiley ID 812155