chempirical

(4,4'-Dinitro-[1,1'-biphenyl]-2,2'-diyl)dimethanol

C14H12N2O6CAS 5047-02-9304.26 g/mol

Open in Covalent MOL file
N+OO−HON+OO−OH
AlcoholNitro

Properties

Molecular formula
C14H12N2O6
Molar mass
304.26 g/mol
Exact mass
304.0695 Da
logP
2.15Crippen estimate
Polar surface area
126.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5047-02-9
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])CO)C2=C(C=C(C=C2)[N+](=O)[O-])CO
InChIKey
IQIWXVHSSAYNQR-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O6/c17-7-9-5-11(15(19)20)1-3-13(9)14-4-2-12(16(21)22)6-10(14)8-18/h1-6,17-18H,7-8H2

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Work with (4,4'-Dinitro-[1,1'-biphenyl]-2,2'-diyl)dimethanol

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

2,7-Dinitrofluorene5405-53-871 % similar 2-Chloro-5-nitrobenzenemethanol80866-80-469 % similar 2-Nitrofluorene607-57-861 % similar 4-Nitrobenzyl alcohol619-73-858 % similar 3-Nitrobenzyl alcohol619-25-056 % similar 3,5-Dinitrobenzenemethanol71022-43-053 % similar 2-Nitrobenzyl alcohol612-25-951 % similar 2-(Chloromethyl)-4-nitrophenol2973-19-551 % similar

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

Same formula

1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-9

Elsewhere

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