2-Methyl-6-nitrobenzoxazole

C₈H₆N₂O₃CAS 5683-43-2178.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆N₂O₃
Molar mass: 178.15 g/mol
Exact mass: 178.0378 Da
Melting point: 170–173 °C
logP: 2.04Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

5683-43-2

SMILES

Cc1nc2ccc([N+](=O)[O-])cc2o1

InChIKey

DPVZLXWUFYMLBK-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O3/c1-5-9-7-3-2-6(10(11)12)4-8(7)13-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names

Benzoxazole, 2-methyl-6-nitro-
2-Methyl-6-nitro-1,3-benzoxazole
2-Methyl-6-nitro-benzooxazole

Work with 2-Methyl-6-nitrobenzoxazole

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

6-Nitro-2-benzoxazolone4694-91-165 % similar 2-Methyl-6-nitroquinoline613-30-951 % similar 3-Nitrodibenzofuran5410-97-947 % similar 4-Nitro-O-xylene99-51-446 % similar 5-Nitroisatoic anhydride4693-02-146 % similar 1-Bromo-2-methyl-4-nitrobenzene7149-70-445 % similar 2-Bromo-1-methyl-4-nitrobenzene7745-93-945 % similar 2-Methylbenzoxazole95-21-645 % similar

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

Same formula

2-Cyano-5-nitroanisole101084-96-2 6-Nitro-isoindolin-1-one110568-64-4 4-Isocyanato-1-methyl-2-nitrobenzene13471-69-7 2-(4-Nitrophenoxy)acetonitrile33901-46-1 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-3

Elsewhere

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