(1R,4R)-1,4-Bis(4-nitrophenyl)butane-1,4-diol, 97%

HCID 59617000
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1ccc([C@H](O)CC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1
InChIKey
UWHDPSHAHWBHHT-HZPDHXFCSA-N
Molecular formula
C16H16N2O6
Average molar mass
332.31 g/mol

Names & identifiers

Preferred name
(1R,4R)-1,4-Bis(4-nitrophenyl)butane-1,4-diol, 97%
IUPAC
(1R,4R)-1,4-bis(4-nitrophenyl)butane-1,4-diol

Names & synonyms

SCHEMBL240466UWHDPSHAHWBHHT-HZPDHXFCSA-NAC-28944(1R,4R)-1,4-Bis(4-nitrophenyl)butane-1,4-diol, 97%

Database identifiers

PubChem CID
59617000

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
132 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
24

Related reactions

3 records
New reaction record

Linked notes

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