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2,2-bis(Chloromethyl)-3-chloropropionic acid

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

2,2-bis(Chloromethyl)-3-chloropropionic acid
SpectraBase Compound ID ZYD7UIZDh3
InChI InChI=1S/C5H7Cl3O2/c6-1-5(2-7,3-8)4(9)10/h1-3H2,(H,9,10)
InChIKey RDRNKIGGASXJAX-UHFFFAOYSA-N
Mol Weight 205.47 g/mol
Molecular Formula C5H7Cl3O2
Exact Mass 203.951163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ltvjVlsF8u
Name 3-Chloro-2,2-bis(chloromethyl)propanoic acid
CAS Registry Number 17831-70-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7Cl3O2
InChI InChI=1S/C5H7Cl3O2/c6-1-5(2-7,3-8)4(9)10/h1-3H2,(H,9,10)
InChIKey RDRNKIGGASXJAX-UHFFFAOYSA-N
Molecular Weight 205.468 g/mol
SMILES OC(C(CCl)(CCl)CCl)=O
SPLASH splash10-000i-9400000000-ef568606ab0627fdee64
Source of Spectrum NP-4-2733-0
Synonyms 3-Chloranyl-2,2-bis(chloromethyl)propanoic acid
Wiley ID 1103799