Methyl 4-hydroxy-3-nitrobenzoate

C₈H₇NO₅CAS 99-42-3197.15 g/mol

Open in Covalent MOL file

Ester Nitro Phenol

Properties

Molecular formula: C₈H₇NO₅
Molar mass: 197.15 g/mol
Exact mass: 197.0324 Da
Melting point: 75–76 °C
logP: 1.09Crippen estimate
Polar surface area: 89.7 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Identifiers

CAS number

99-42-3

SMILES

COC(=O)c1ccc(O)c([N+](=O)[O-])c1

InChIKey

GNCWCTBHZCBXGL-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO5/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,10H,1H3

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

Names and synonyms

6 names

Benzoic acid, 4-hydroxy-3-nitro-, methyl ester
4-Hydroxy-3-nitrobenzoic acid methyl ester
4-(Methoxycarbonyl)-2-nitrophenol
Methyl 3-nitro-4-hydroxybenzoate
NSC 28667
3-Nitro-4-hydroxybenzoic acid methyl ester

Work with Methyl 4-hydroxy-3-nitrobenzoate

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

Dimethyl nitroterephthalate5292-45-571 % similar 4-Hydroxy-3-nitrobenzoic acid ethyl ester19013-10-670 % similar Methyl 3-nitro-4-methylbenzoate7356-11-869 % similar Methyl 4-formyl-3-nitrobenzoate153813-69-568 % similar Methyl 4-fluoro-3-nitrobenzoate329-59-967 % similar Methyl 4-amino-3-nitrobenzoate3987-92-667 % similar 1-Methyl 4-borono-3-nitrobenzoate85107-55-767 % similar Methyl 3-methyl-4-nitrobenzoate24078-21-565 % 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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