2-Methoxy-4-nitrobenzoic acid

C₈H₇NO₅CAS 2597-56-0197.15 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Nitro

Properties

Molecular formula: C₈H₇NO₅
Molar mass: 197.15 g/mol
Exact mass: 197.0324 Da
Melting point: 147 °C
logP: 1.30Crippen estimate
Polar surface area: 89.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2597-56-0

SMILES

COc1cc([N+](=O)[O-])ccc1C(=O)O

InChIKey

KPJXEWJRJKEOCD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 2-methoxy-4-nitro-
o-Anisic acid, 4-nitro-
4-Nitro-o-anisic acid
4-Nitro-2-methoxybenzoic acid
NSC 229300

Work with 2-Methoxy-4-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-Ethoxy-4-nitrobenzoic acid2486-66-070 % similar 4-Nitrophthalic acid610-27-567 % similar 2-Amino-4-nitrobenzoic acid619-17-066 % similar 2-Methyl-4-nitrobenzoic acid1975-51-564 % similar 2,4-Dinitrobenzoic acid610-30-063 % similar 4,5-Dimethoxy-2-nitrobenzoic acid4998-07-663 % similar 2-Hydroxy-4-nitrobenzoic acid619-19-262 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-162 % 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 2-Hydroxy-3-methoxy-5-nitrobenzaldehyde17028-61-4 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

Elsewhere

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