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1-(2-Nitrocyclopropyl)-4-phenylmethoxybenzene

HCID 66629097
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])C1CC1c1ccc(OCc2ccccc2)cc1
InChIKey
YFNSKRWAVGCAHS-UHFFFAOYSA-N
Molecular formula
C16H15NO3
Average molar mass
269.29 g/mol
Monoisotopic mass
269.10519334

Names & identifiers

Preferred name
1-(2-Nitrocyclopropyl)-4-phenylmethoxybenzene
IUPAC
1-(2-nitrocyclopropyl)-4-phenylmethoxybenzene

Names & synonyms

SCHEMBL235744

Database identifiers

PubChem CID
66629097

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
327

Related reactions

3 records
New reaction record
HRID 136993 reaction equation
HRID 136993As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1143563 reaction equation
HRID 1143563As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2153699 reaction equation
HRID 2153699As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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