HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

2-Chloro-6-(4-pyridyl)benzaldoxime

HCID 136334122
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
ON=Cc1c(Cl)cccc1-c1ccncc1
InChIKey
XINLFZWSDRJDJK-UHFFFAOYSA-N
Molecular formula
C12H9ClN2O
Average molar mass
232.66 g/mol
Monoisotopic mass
232.0403406

Names & identifiers

Preferred name
2-Chloro-6-(4-pyridyl)benzaldoxime
IUPAC
N-[(2-chloro-6-pyridin-4-ylphenyl)methylidene]hydroxylamine

Names & synonyms

SCHEMBL5852337XINLFZWSDRJDJK-UHFFFAOYSA-N2-chloro-6-(4-pyridyl)benzaldoxime

Database identifiers

PubChem CID
136334122

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
45.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
241

Related reactions

3 records
New reaction record
HRID 812453 reaction equation
HRID 812453As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1241920 reaction equation
HRID 1241920As productuspto-grants-2006_10
HRID 1241921 reaction equation
HRID 1241921As reactantuspto-grants-2006_10

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes