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1-(But-3-enyloxy)-4-chloro-2-nitrobenzene

HCID 21075358
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCCOc1ccc(Cl)cc1[N+](=O)[O-]
InChIKey
RJKLCCWXBKHMQU-UHFFFAOYSA-N
Molecular formula
C10H10ClNO3
Average molar mass
227.64 g/mol

Names & identifiers

Preferred name
1-(But-3-enyloxy)-4-chloro-2-nitrobenzene
IUPAC
1-but-3-enoxy-4-chloro-2-nitrobenzene

Names & synonyms

SCHEMBL5642818RJKLCCWXBKHMQU-UHFFFAOYSA-N1-(but-3-enyloxy)-4-chloro-2-nitrobenzene

Database identifiers

PubChem CID
21075358

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
229

Related reactions

2 records
New reaction record
HRID 107062 reaction equation
HRID 107062As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1373764 reaction equation
HRID 1373764As productuspto-grants-2007_01

Compound notes

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