5-Methoxy-2-nitrobenzoic acid

C₈H₇NO₅CAS 1882-69-5197.15 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: 255 °C
logP: 1.30Crippen estimate
Polar surface area: 89.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1882-69-5

SMILES

COc1ccc([N+](=O)[O-])c(C(=O)O)c1

InChIKey

URADKXVAIGMTEG-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO5/c1-14-5-2-3-7(9(12)13)6(4-5)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, 5-methoxy-2-nitro-
m-Anisic acid, 6-nitro-
2-Nitro-5-methoxybenzoic acid
NSC 364656
5-(Methyloxy)-2-nitrobenzoic acid

Work with 5-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

4-Methoxy-2-nitrobenzoic acid33844-21-280 % similar 2,5-Dimethoxy-3-nitrobenzoic acid17894-26-770 % similar 4,5-Dimethoxy-2-nitrobenzoic acid4998-07-667 % similar 5-Methyl-2-nitrobenzoic acid3113-72-264 % similar 2,5-Dinitrobenzoic acid610-28-663 % similar 5-Hydroxy-2-nitrobenzoic acid610-37-762 % similar 4-Methoxyphthalic acid1885-13-862 % similar 5-Amino-2-nitrobenzoic acid13280-60-960 % 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 Methyl 3-nitrosalicylate22621-41-6 2-Methoxy-4-nitrobenzoic acid2597-56-0

Elsewhere

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