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5-Chloro-2-nitrotoluene
SpectraBase Compound ID JBuCrJj3HAG
InChI InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
InChIKey NSMZCUAVEOTJDS-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 CtMvXS72lU6
Name 5-Chloro-2-nitrotoluene
Alternate Name(s) 4-Chloranyl-2-methyl-1-nitro-benzene 4-Chloro-2-methyl-1-nitro-benzene
CAS Registry Number 5367-28-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6ClNO2
InChI InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
InChIKey NSMZCUAVEOTJDS-UHFFFAOYSA-N
Molecular Weight 171.583 g/mol
SMILES Cc1cc(ccc1N(=O)=O)Cl
SPLASH splash10-0uk9-0900000000-fe4fe5d5a1aa9a143bfb
Source of Spectrum JC-518-30-0
Wiley ID 1167769