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3-Amino-4-chlorobenzoic acid
SpectraBase Compound ID 9DMkUrlahu1
InChI InChI=1S/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChIKey DMGFVJVLVZOSOE-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 Kfg5FrwiNcz
Name 3-Amino-4-chlorobenzoic acid
Alternate Name(s) 3-Azanyl-4-chloranyl-benzoic acid Benzoic acid, 3-amino-4-chloro-
CAS Registry Number 2840-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClNO2
InChI InChI=1S/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChIKey DMGFVJVLVZOSOE-UHFFFAOYSA-N
Molecular Weight 171.583 g/mol
SMILES OC(c1cc(c(cc1)Cl)N)=O
SPLASH splash10-00di-2900000000-5a4b0c7cd37952d24e12
Source of Spectrum RB-1982-13698-0
Wiley ID 1167764