1-Mesityl-2-methyl-3-nitrobenzene

HCID 22249686
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Basic information

Standard SMILES
Cc1cc(C)c(-c2cccc([N+](=O)[O-])c2C)c(C)c1
InChIKey
QEMQSYQHRZLALM-UHFFFAOYSA-N
Molecular formula
C16H17NO2
Average molar mass
255.31 g/mol
Monoisotopic mass
255.12592879

Names & identifiers

Preferred name
1-Mesityl-2-methyl-3-nitrobenzene
IUPAC
1,3,5-trimethyl-2-(2-methyl-3-nitrophenyl)benzene

Names & synonyms

SCHEMBL5826593QEMQSYQHRZLALM-UHFFFAOYSA-N1-Mesityl-2-methyl-3-nitrobenzene

Database identifiers

PubChem CID
22249686

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
19

Related reactions

7 records
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Compound notes

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