2-Oxiranemethanol, 3-(4-nitrophenyl)-

HCID 4154137
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(C2OC2CO)cc1
InChIKey
TVWSYFXHQPGITR-UHFFFAOYSA-N
Molecular formula
C9H9NO4
Average molar mass
195.17 g/mol
Monoisotopic mass
195.05315777

Names & identifiers

Preferred name
2-Oxiranemethanol, 3-(4-nitrophenyl)-
IUPAC
[3-(4-nitrophenyl)oxiran-2-yl]methanol

Names & synonyms

US8815951, Epoxide Hydrolase Inhibitor 21US8815951, Epoxide Hydrolase Inhibitor 22SCHEMBL4386756CHEMBL3661415TVWSYFXHQPGITR-UHFFFAOYSA-NBDBM1293392-Oxiranemethanol, 3-(4-nitrophenyl)-DB-065646US8815951, Epoxide Hydrolase Inhibitor 20

Database identifiers

PubChem CID
4154137
ChEMBL
CHEMBL3661415

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
78.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

Related reactions

1 records
New reaction record

Compound notes

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