2',4',6'-Trinitro-4-methylbiphenyl

HCID 22342000
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Basic information

Standard SMILES
Cc1ccc(-c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIKey
FPNLDECTKFUSBJ-UHFFFAOYSA-N
Molecular formula
C13H9N3O6
Average molar mass
303.23 g/mol

Names & identifiers

Preferred name
2',4',6'-Trinitro-4-methylbiphenyl
IUPAC
2-(4-methylphenyl)-1,3,5-trinitrobenzene

Names & synonyms

SCHEMBL2333468FPNLDECTKFUSBJ-UHFFFAOYSA-N2',4',6'-trinitro-4-methylbiphenyl

Database identifiers

PubChem CID
22342000

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
137 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
22

Related reactions

5 records
New reaction record

Linked notes

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