chempirical

4-Methoxy-2-nitrobenzoic acid

C8H7NO5CAS 33844-21-2197.15 g/mol

Open in Covalent MOL file
OOOHN+OO−
Carboxylic acidEtherNitro

Properties

Molecular formula
C8H7NO5
Molar mass
197.15 g/mol
Exact mass
197.0324 Da
Melting point
195–196 °C
logP
1.30Crippen estimate
Polar surface area
89.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
33844-21-2
SMILES
COc1ccc(C(=O)O)c([N+](=O)[O-])c1
InChIKey
DVZBWONCSHFMMM-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 4-methoxy-2-nitro-
  • p-Anisic acid, 2-nitro-
  • 2-Nitro-4-methoxybenzoic acid
  • 2-Nitro-p-anisic acid
  • NSC 149936

Work with 4-Methoxy-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

2,5-Dimethoxy-3-nitrobenzoic acid17894-26-770 % similar 4,5-Dimethoxy-2-nitrobenzoic acid4998-07-667 % similar Nitroterephthalic acid610-29-763 % similar 2,4-Dinitrobenzoic acid610-30-063 % similar 4-Fluoro-2-nitrobenzoic acid394-01-462 % similar 4-Methoxyphthalic acid1885-13-862 % similar 4-Chloro-2-nitrobenzoic acid6280-88-260 % similar 4-Methoxysalicylic acid2237-36-759 % similar

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

Same formula

4-Hydroxy-3-nitrophenylacetic acid10463-20-4 6-Nitro-1,3-benzodioxole-5-methanol15341-08-9 Methyl 5-nitrosalicylate17302-46-4 (4-Nitrophenoxy)acetic acid1798-11-4 2-Nitrophenoxyacetic acid1878-87-1 5-Methoxy-2-nitrobenzoic acid1882-69-5 Methyl 3-nitrosalicylate22621-41-6 2-Methoxy-4-nitrobenzoic acid2597-56-0

Elsewhere

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