[2-Nitro-5-(tetrahydro-pyran-2-yloxymethyl)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

HCID 69489653
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Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1cc(COC2CCCCO2)c(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey
IKWPHCMXIKWDMJ-UHFFFAOYSA-N
Molecular formula
C18H23F3N2O6
Average molar mass
420.4 g/mol
Monoisotopic mass
420.15082094

Names & identifiers

Preferred name
[2-Nitro-5-(tetrahydro-pyran-2-yloxymethyl)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[2-nitro-5-(oxan-2-yloxymethyl)-4-(trifluoromethyl)phenyl]carbamate

Names & synonyms

[2-nitro-5-(tetrahydro-pyran-2-yloxymethyl)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl esterSCHEMBL5563454

Database identifiers

PubChem CID
69489653

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
103 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
29

Related reactions

1 records
New reaction record

Compound notes

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