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4-Chloro-3-nitrobenzoic acid
SpectraBase Compound ID KACfNQ7I43O
InChI InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChIKey DFXQXFGFOLXAPO-UHFFFAOYSA-N
Mol Weight 201.56 g/mol
Molecular Formula C7H4ClNO4
Exact Mass 200.982885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3tH7M7RRQm
Name Benzoic acid, 4-chloro-3-nitro-
CAS Registry Number 96-99-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClNO4
InChI InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChIKey DFXQXFGFOLXAPO-UHFFFAOYSA-N
Molecular Weight 201.565 g/mol
SMILES OC(c1cc(N(=O)=O)c(cc1)Cl)=O
SPLASH splash10-00c1-9400000000-95e0c109c119dec2db8d
Source of Spectrum PG-1982-1504-0
Synonyms 3-Nitro-4-chlorobenzoic acid 4-Chloro-3-nitrobenzoic acid Kyselina 4-chloro-3-nitrobenzoova BRN 0783626 CCRIS 3126 EINECS 202-550-9 NSC 8440
Wiley ID 23612