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4-Amino-2-chlorobenzoic acid
SpectraBase Compound ID 3r4idtaSfFF
InChI InChI=1S/C7H6ClNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey MBDUKNCPOPMRJQ-UHFFFAOYSA-N
Mol Weight 171.58 g/mol
Molecular Formula C7H6ClNO2
Exact Mass 171.008706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3W2xNUmG0EJ
Name Benzoic acid, 4-amino-2-chloro-
CAS Registry Number 2457-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClNO2
InChI InChI=1S/C7H6ClNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey MBDUKNCPOPMRJQ-UHFFFAOYSA-N
Molecular Weight 171.583 g/mol
SMILES OC(c1c(cc(N)cc1)Cl)=O
SPLASH splash10-0umi-3900000000-829acb6f769133231b8c
Source of Spectrum W5-0-0-0
Synonyms 2-Chloro-4-aminobenzoic acid 2-Chloro-p-aminobenzoic acid 4-Amino-2-chloro-benzoic acid 4-Azanyl-2-chloranyl-benzoic acid o-Chloro-p-aminobenzoic acid USAF NB-1 AI3-52324 BRN 2803668 EINECS 219-540-5 NSC 33944 NSC 53160 NSC 64328
Wiley ID 1167765