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3-Chloro-2-nitrobenzoic acid
SpectraBase Compound ID 8yTGU5wv2Oi
InChI InChI=1S/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
InChIKey VCHSXYHBMFKRBK-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 KAVueNBq03b
Name Benzoic acid, 3-chloro-2-nitro-
CAS Registry Number 4771-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClNO4
InChI InChI=1S/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
InChIKey VCHSXYHBMFKRBK-UHFFFAOYSA-N
Molecular Weight 201.565 g/mol
SMILES OC(c1cccc(c1N(=O)=O)Cl)=O
SPLASH splash10-0umj-9620000000-395beb690120f2498c1a
Source of Spectrum O-21-230-5
Synonyms 3-Chloro-2-nitro-benzoic acid EINECS 225-313-1
Wiley ID 1198525