chempirical

4,4'-Dinitrostilbene

C14H10N2O4CAS 2501-02-2270.24 g/mol

Open in Covalent MOL file
N+OO−N+OO−
AlkeneNitro

Properties

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

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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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-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 trans-4-Nitrocinnamic acid882-06-463 % 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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