4-(2,3-Epoxypropoxy)-4'-nitrobenzophenone

HCID 20186514
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Basic information

Standard SMILES
O=C(c1ccc(OCC2CO2)cc1)c1ccc([N+](=O)[O-])cc1
InChIKey
XEPLMYDKEVCRES-UHFFFAOYSA-N
Molecular formula
C16H13NO5
Average molar mass
299.28 g/mol
Monoisotopic mass
299.07937252

Names & identifiers

Preferred name
4-(2,3-Epoxypropoxy)-4'-nitrobenzophenone
IUPAC
(4-nitrophenyl)-[4-(oxiran-2-ylmethoxy)phenyl]methanone

Names & synonyms

SCHEMBL10734179XEPLMYDKEVCRES-UHFFFAOYSA-N4-(2,3-epoxypropoxy)-4'-nitrobenzophenone

Database identifiers

PubChem CID
20186514

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
84.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
22

Related reactions

3 records
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Compound notes

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