2-Iodo-1-methyl-4-nitrobenzene

C₇H₆INO₂CAS 7745-92-8263.03 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₆INO₂
Molar mass: 263.03 g/mol
Exact mass: 262.9443 Da
Melting point: 58 °C
Boiling point: 114–116 °C (at 0.2 Torr)
logP: 2.51Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

7745-92-8

SMILES

Cc1ccc([N+](=O)[O-])cc1I

InChIKey

BUQSRXQJUZTIEW-UHFFFAOYSA-N

InChI

InChI=1S/C7H6INO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names

Benzene, 2-iodo-1-methyl-4-nitro-
Toluene, 2-iodo-4-nitro-
2-Iodo-4-nitrotoluene
1-Iodo-2-methyl-5-nitrobenzene
NSC 310164

Work with 2-Iodo-1-methyl-4-nitrobenzene

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-Nitro-O-xylene99-51-470 % similar 2,4-Dinitrotoluene121-14-266 % similar 2-Chloro-4-nitrotoluene121-86-862 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-262 % similar 2-Methyl-5-nitrophenol5428-54-662 % similar 2-Bromo-1-methyl-4-nitrobenzene7745-93-962 % similar 2-Methyl-5-nitroaniline99-55-862 % similar 2-Iodo-1-methoxy-4-nitrobenzene5399-03-161 % similar

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

Same formula

2-Amino-3-iodobenzoic acid20776-55-0 4-Amino-3-iodobenzoic acid2122-63-6 4-Iodo-2-nitrotoluene41252-97-5 1-Iodo-2-methyl-4-nitrobenzene5326-38-5 2-Amino-5-iodobenzoic acid5326-47-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook