980-26-7 Purity
95%+
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Specification
The molecular formula is C7H4ClNO4.
The molecular weight is 201.56 g/mol.
The IUPAC name is 2-chloro-4-nitrobenzoic acid.
The InChI is InChI=1S/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11).
The InChIKey is QAYNSPOKTRVZRC-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O.
The CAS number is 99-60-5.
The European Community (EC) number is 202-771-0.
There are 4 hydrogen bond acceptor counts in 2-Chloro-4-nitrobenzoic acid.
Yes, 2-Chloro-4-nitrobenzoic acid is a canonicalized compound.