(1R,4R)-1,4-bis(4-nitrophenyl)butane-1,4-diol

HCID 59616924
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(C(O)CCC(O)c2ccc([N+](=O)[O-])cc2)cc1
InChIKey
UWHDPSHAHWBHHT-UHFFFAOYSA-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
IUPAC
1,4-bis(4-nitrophenyl)butane-1,4-diol

Names & synonyms

(1R,4R)-1,4-bis(4-nitrophenyl)butane-1,4-diol1258226-78-61258232-48-21,4-bis(4-nitrophenyl)butane-1,4-diol1,4-Bis(4-nitrophenyl)-1,4-butanediol1,4-Butanediol, 1,4-bis(4-nitrophenyl)-SCHEMBL1983480UWHDPSHAHWBHHT-UHFFFAOYSA-N

Database identifiers

PubChem CID
59616924

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

Compound notes

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