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N-[2-(2,4-dichlorophenyl)-1-methyl-ethyl]-hydroxylamine

HCID 246151
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(Cc1ccc(Cl)cc1Cl)NO
InChIKey
LXRJUJFAYRWQDI-UHFFFAOYSA-N
Molecular formula
C9H11Cl2NO
Average molar mass
220.09 g/mol
Monoisotopic mass
219.0217694

Names & identifiers

Preferred name
N-[2-(2,4-dichlorophenyl)-1-methyl-ethyl]-hydroxylamine
IUPAC
N-[1-(2,4-dichlorophenyl)propan-2-yl]hydroxylamine

Names & synonyms

SCHEMBL2367303CHEMBL2010115LXRJUJFAYRWQDI-UHFFFAOYSA-NN-[2-(2,4-dichlorophenyl)-1-methyl-ethyl]-hydroxylamine

Database identifiers

PubChem CID
246151
ChEMBL
CHEMBL2010115

Properties

Computed structural propertiesFilling in

XLogP
3
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
157

Related reactions

4 records
New reaction record
HRID 193551 reaction equation
HRID 193551As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 680297 reaction equation
HRID 680297As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2381252 reaction equation
HRID 2381252As reactantuspto-grants-2012_09
HRID 2381260 reaction equation
HRID 2381260As productuspto-grants-2012_09

Compound notes

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