2-(5-Chloro-2-nitrophenyl)cyclo-hexanone

HCID 13348342
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Basic information

Standard SMILES
O=C1CCCCC1c1cc(Cl)ccc1[N+](=O)[O-]
InChIKey
VNEMLBGNBWBDBG-UHFFFAOYSA-N
Molecular formula
C12H12ClNO3
Average molar mass
253.68 g/mol

Names & identifiers

Preferred name
2-(5-Chloro-2-nitrophenyl)cyclo-hexanone
IUPAC
2-(5-chloro-2-nitrophenyl)cyclohexan-1-one

Names & synonyms

SCHEMBL9649037VNEMLBGNBWBDBG-UHFFFAOYSA-N2-(5-chloro-2-nitrophenyl)cyclo-hexanone2-(5-chloro-2-nitrophenyl)cyclo- hexanone

Database identifiers

PubChem CID
13348342

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
62.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
17

Related reactions

4 records
New reaction record

Compound notes

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2-(5-Chloro-2-nitrophenyl)cyclo-hexanone (HCID 13348342)｜Huagongshe