4-Methoxy-3-nitrophenol

C₇H₇NO₄CAS 15174-02-4169.14 g/mol

Open in Covalent MOL file

Ether Nitro Phenol

Properties

Molecular formula: C₇H₇NO₄
Molar mass: 169.14 g/mol
Exact mass: 169.0375 Da
logP: 1.31Crippen estimate
Polar surface area: 72.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled66.7% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15174-02-4

SMILES

COC1=C(C=C(C=C1)O)[N+](=O)[O-]

InChIKey

AADXAMFLYDYIFS-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO4/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

1 names

4-Hydroxy-2-nitro-anisole

Work with 4-Methoxy-3-nitrophenol

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-Bromo-1-methoxy-2-nitrobenzene33696-00-368 % similar 2,4-Dinitroanisole119-27-767 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-467 % similar 1-Methoxy-4-methyl-2-nitrobenzene119-10-865 % similar 4-Fluoro-2-nitroanisole445-83-065 % similar 4-Methoxy-3-nitrobenzenamine577-72-063 % similar 4-Chloro-1-methoxy-2-nitrobenzene89-21-463 % similar 4-Methoxy-3-nitrophenylboronic acid827614-67-563 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-2-nitrophenol1568-70-3 3-Methoxy-4-nitrophenol16292-95-8 2-Methoxy-4-nitrophenol3251-56-7 N-Succinimidyl acrylate38862-24-7 4-Hydroxy-3-nitrobenzyl alcohol41833-13-0 3,4,5-Trihydroxybenzamide618-73-5 5-Nitroguaiacol636-93-1 5-Methoxy-2-nitrophenol704-14-3

Elsewhere

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