chempirical

Iniparib

C7H5IN2O3CAS 160003-66-7292.03 g/mol

Open in Covalent MOL file
H2NOIN+OO−
Aryl halideNitro

Properties

Molecular formula
C7H5IN2O3
Molar mass
292.03 g/mol
Exact mass
291.9345 Da
logP
2.08Crippen estimate
Polar surface area
87.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
160003-66-7
SMILES
N=C(O)c1ccc(I)c([N+](=O)[O-])c1
InChIKey
MDOJTZQKHMAPBK-UHFFFAOYSA-N
InChI
InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)

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Names and synonyms

5 names
  • Benzamide, 4-iodo-3-nitro-
  • 4-Iodo-3-nitrobenzamide
  • BSI 201
  • SML 0623
  • SAR240550

Work with Iniparib

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

4-Methyl-3-nitrobenzamide19013-11-770 % similar 4-Chloro-3-nitrobenzamide16588-06-068 % similar 4-Methoxy-3-nitrobenzamide10397-58-761 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-855 % similar 3-Nitrobenzamide645-09-055 % similar 3,5-Dinitrobenzamide121-81-354 % similar 2,4-Dinitroiodobenzene709-49-954 % similar 4-Fluoro-1-iodo-2-nitrobenzene364-77-253 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook