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4-(2,6-Dichloro-4-nitrophenyl)morpholine

HCID 12661502
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1cc(Cl)c(N2CCOCC2)c(Cl)c1
InChIKey
DKMAPESZXMPRNC-UHFFFAOYSA-N
Molecular formula
C10H10Cl2N2O3
Average molar mass
277.1 g/mol

Names & identifiers

Preferred name
4-(2,6-Dichloro-4-nitrophenyl)morpholine
IUPAC
4-(2,6-dichloro-4-nitrophenyl)morpholine

Names & synonyms

4-(2,6-dichloro-4-nitrophenyl)morpholine74875-25-5SCHEMBL3546898DKMAPESZXMPRNC-UHFFFAOYSA-NAKOS005147627DB-379552ST4147817

Database identifiers

PubChem CID
12661502

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
58.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
269

Related reactions

2 records
New reaction record
HRID 1713873 reaction equation
HRID 1713873As reactantuspto-grants-2010_09
HRID 2341634 reaction equation
HRID 2341634As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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