chempirical

3-Hydroxy-2-nitrobenzoic acid

C7H5NO5CAS 602-00-6183.12 g/mol

Open in Covalent MOL file
HON+OO−OOH
Carboxylic acidNitroPhenol

Properties

Molecular formula
C7H5NO5
Molar mass
183.12 g/mol
Exact mass
183.0168 Da
logP
1.00Crippen estimate
Polar surface area
100.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
602-00-6
SMILES
C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O
InChIKey
KPDBKQKRDJPBRM-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)

Weigh it out

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Work with 3-Hydroxy-2-nitrobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Nitro-1,3-benzenedicarboxylic acid21161-11-579 % similar 3-Chloro-2-nitrobenzoic acid4771-47-568 % similar 3-Fluoro-2-nitrobenzoic acid1000339-51-467 % similar 3-Methyl-2-nitrobenzoic acid5437-38-767 % similar 2-Nitroresorcinol601-89-864 % similar 3-Methoxy-2-nitrobenzoic acid4920-80-363 % similar 2-Nitrobenzoic acid552-16-958 % similar 3-Nitrophthalic acid603-11-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4-Dihydroxy-5-nitrobenzaldehyde116313-85-0 Chelidamic acid138-60-3 5-Hydroxy-2-nitrobenzoic acid610-37-7 4-Hydroxy-3-nitrobenzoic acid616-82-0 3-Hydroxy-4-nitrobenzoic acid619-14-7 2-Hydroxy-4-nitrobenzoic acid619-19-2 3-(5-Nitro-2-furyl)acrylic acid6281-23-8 3-Nitrosalicylic acid85-38-1

Elsewhere

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