3-Methoxy-4-nitrophenol

C₇H₇NO₄CAS 16292-95-8169.14 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
Melting point: 144 °C
logP: 1.31Crippen estimate
Polar surface area: 72.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

16292-95-8

SMILES

COc1cc(O)ccc1[N+](=O)[O-]

InChIKey

VDQSACYMBGQMFC-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO4/c1-12-7-4-5(9)2-3-6(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

Phenol, 3-methoxy-4-nitro-

Work with 3-Methoxy-4-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-2-methoxy-1-nitrobenzene103966-66-168 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-767 % similar 2-Methoxy-4-methyl-1-nitrobenzene38512-82-265 % similar 5-Fluoro-2-nitroanisole448-19-163 % similar 4-Chloro-2-methoxy-1-nitrobenzene6627-53-863 % similar 3-Methoxy-4-nitrobenzoic acid5081-36-760 % similar 3-Methyl-4-nitrophenol2581-34-259 % similar 1,2-Dimethoxy-4,5-dinitrobenzene3395-03-759 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methoxy-3-nitrophenol15174-02-4 4-Methoxy-2-nitrophenol1568-70-3 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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