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

Chloroacetone oxime

HCID 69592
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
671-59-0
Standard SMILES
CC(CCl)=NO
InChIKey
ADYDCWWHQBOFHC-UHFFFAOYSA-N
Molecular formula
C3H6ClNO
Average molar mass
107.54 g/mol
Monoisotopic mass
107.0137915

Names & identifiers

Preferred name
Chloroacetone oxime
IUPAC
N-(1-chloropropan-2-ylidene)hydroxylamine

Names & synonyms

chloroacetone oximechloropropanone oximeSCHEMBL6547588ADYDCWWHQBOFHC-UHFFFAOYSA-NDTXSID501307874N-(1-chloropropan-2-ylidene)hydroxylamine

Database identifiers

CAS
671-59-0
PubChem CID
69592
DTXSID
DTXSID501307874

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
32.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
6
Formal charge
0
Complexity
61.8

Related reactions

3 records
New reaction record
HRID 307626 reaction equation
HRID 307626As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1280258 reaction equation
HRID 1280258As reactantuspto-grants-2002_09
HRID 2305081 reaction equation
HRID 2305081As reactantuspto-grants-2002_08

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes