chempirical

4-Iodo-4′-nitro-1,1′-biphenyl

C12H8INO2CAS 29170-08-9325.11 g/mol

Open in Covalent MOL file
ON+O−I
Aryl halideNitro

Properties

Molecular formula
C12H8INO2
Molar mass
325.11 g/mol
Exact mass
324.9600 Da
Melting point
204 °C
logP
3.87Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
29170-08-9
SMILES
O=[N+]([O-])c1ccc(-c2ccc(I)cc2)cc1
InChIKey
YEDVRRNLTGKJSW-UHFFFAOYSA-N
InChI
InChI=1S/C12H8INO2/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(15)16/h1-8H

Weigh it out

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Names and synonyms

6 names
  • 1,1′-Biphenyl, 4-iodo-4′-nitro-
  • Biphenyl, 4-iodo-4′-nitro-
  • 4-Iodo-4′-nitrobiphenyl
  • 4′-Iodo-4-nitro-1,1′-biphenyl
  • 4-Iodo-4′-nitro-[1,1′-biphenyl]-
  • 1-(4-Iodophenyl)-4-nitrobenzene

Work with 4-Iodo-4′-nitro-1,1′-biphenyl

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-Iodo-4-nitrobenzene636-98-688 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-175 % similar 4-Nitro-1,1′-biphenyl92-93-364 % similar 1,4-Dinitrobenzene100-25-463 % similar 4′-Nitro[1,1′-biphenyl]-4-ol3916-44-760 % similar 1-Iodo-3-nitrobenzene645-00-153 % similar 4-Nitrochlorobenzene100-00-550 % similar 4-Nitroaniline100-01-650 % similar

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

Elsewhere

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