4,4'-Dinitrostilbene

C₁₄H₁₀N₂O₄CAS 2501-02-2270.24 g/mol

Open in Covalent MOL file

Alkene Nitro

Properties

Molecular formula: C₁₄H₁₀N₂O₄
Molar mass: 270.24 g/mol
Exact mass: 270.0641 Da
logP: 3.67Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction97.5% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2501-02-2

SMILES

C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChIKey

CLVIIRIMEIEKOQ-OWOJBTEDSA-N

InChI

InChI=1S/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H/b2-1+

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

Names and synonyms

1 names

4,4'-Dinitrostilbene, (E)-

Work with 4,4'-Dinitrostilbene

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

1,4-Dinitrobenzene100-25-471 % similar 4-Nitrocinnamaldehyde1734-79-871 % similar 4-Nitrocinnamaldehyde49678-08-271 % similar 4-Nitrobenzaldehyde555-16-869 % similar 4-Nitrostyrene100-13-067 % similar 3-(4-Nitrophenyl)-2-propen-1-ol1504-63-867 % similar 4,4'-Dinitro-1,1'-biphenyl1528-74-163 % similar 4-Nitrocinnamic acid619-89-663 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,5-Diamino-4,8-dihydroxy-9,10-anthracenedione145-49-3 4,4′-(1,2-Diazenediyl)bis[benzoic acid]586-91-4

Elsewhere

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