2-Ethoxy-4-nitrobenzoic acid

C9H9NO5CAS 2486-66-0211.17 g/mol

Open in Covalent MOL file
ON+OO−OHO
Carboxylic acidEtherNitro

Properties

Molecular formula
C9H9NO5
Molar mass
211.17 g/mol
Exact mass
211.0481 Da
logP
1.69Crippen estimate
Polar surface area
89.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
2486-66-0
SMILES
CCOC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O
InChIKey
BSIOETYGDXDWBR-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO5/c1-2-15-8-5-6(10(13)14)3-4-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12)

Weigh it out

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

Work with 2-Ethoxy-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-Methoxy-4-nitrobenzoic acid2597-56-070 % similar 2-Methyl-4-nitrobenzoic acid1975-51-564 % similar 4-Nitrophthalic acid610-27-562 % similar N-(2-Ethoxy-4-nitrophenyl)acetamide116496-76-560 % similar 2,4-Dinitrobenzoic acid610-30-059 % similar 2-Bromo-5-nitroethoxybenzene423165-33-759 % similar 2-Amino-4-nitrobenzoic acid619-17-058 % similar 2-Hydroxy-4-nitrobenzoic acid619-19-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Hydroxy-3-nitrobenzoic acid ethyl ester19013-10-6 DMNB20357-25-9 Methyl 2-methoxy-5-nitrobenzoate34841-11-7 Methyl 3-methoxy-4-nitrobenzoate5081-37-8 Methyl 3-methoxy-2-nitrobenzoate5307-17-5

Elsewhere

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