HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

2,6,7-Trichloro-3-methylquinoxaline

HCID 9794879
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
212771-50-1
Standard SMILES
Cc1nc2cc(Cl)c(Cl)cc2nc1Cl
InChIKey
BGHYEKFIVMFWRP-UHFFFAOYSA-N
Molecular formula
C9H5Cl3N2
Average molar mass
247.5 g/mol
Monoisotopic mass
245.951831

Names & identifiers

Preferred name
2,6,7-Trichloro-3-methylquinoxaline
IUPAC
2,6,7-trichloro-3-methylquinoxaline

Names & synonyms

2,6,7-Trichloro-3-methylquinoxaline212771-50-1SCHEMBL6307514DTXSID90430812BGHYEKFIVMFWRP-UHFFFAOYSA-NAKOS017557977CS-0527895

Database identifiers

CAS
212771-50-1
PubChem CID
9794879
DTXSID
DTXSID90430812

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Formal charge
0
Complexity
214

Related reactions

2 records
New reaction record
HRID 183387 reaction equation
HRID 183387As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 584658 reaction equation
HRID 584658As productuspto-grants-2005_08

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes