2-Methoxy-4-nitrobenzaldehyde

C8H7NO4CAS 136507-15-8181.15 g/mol

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AldehydeEtherNitro

Properties

Molecular formula
C8H7NO4
Molar mass
181.15 g/mol
Exact mass
181.0375 Da
Melting point
122 °C
logP
1.42Crippen estimate
Polar surface area
69.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
136507-15-8
SMILES
COc1cc([N+](=O)[O-])ccc1C=O
InChIKey
LEBUUZXTHMCZQZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO4/c1-13-8-4-7(9(11)12)3-2-6(8)5-10/h2-5H,1H3

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Names and synonyms

3 names
  • Benzaldehyde, 2-methoxy-4-nitro-
  • 4-Nitro-2-methoxybenzaldehyde
  • 1-Formyl-2-methoxy-4-nitrobenzene

Work with 2-Methoxy-4-nitrobenzaldehyde

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

1,2-Dimethoxy-4-nitrobenzene709-09-167 % similar 2-Hydroxy-3-methoxy-5-nitrobenzaldehyde17028-61-466 % similar 2-Methoxy-4-nitrophenol3251-56-764 % similar 2-Methoxy-1-methyl-4-nitrobenzene13120-77-962 % similar 2-Methoxy-4-nitroaniline97-52-962 % similar 2,4-Dinitrobenzaldehyde528-75-661 % similar 1-Chloro-2-methoxy-4-nitrobenzene1009-36-560 % similar DMNB20357-25-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Aminoterephthalic acid10312-55-7 (4-Nitrophenyl)acetic acid104-03-0 2-Methyl-6-nitrobenzoic acid13506-76-8 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-6 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-7 5-(Methoxycarbonyl)pyridine-2-carboxylic acid17874-79-2 3-Nitrophenylacetic acid1877-73-2 2-Methyl-3-nitrobenzoic acid1975-50-4

Elsewhere

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