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-4,6-diethoxy-1,3,5-triazine

HCID 35649
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
30894-75-8
Standard SMILES
CCOc1nc(Cl)nc(OCC)n1
InChIKey
NWZSQZIPVJLICE-UHFFFAOYSA-N
Molecular formula
C7H10ClN3O2
Average molar mass
203.62 g/mol
Monoisotopic mass
203.04615424

Names & identifiers

Preferred name
2-Chloro-4,6-diethoxy-1,3,5-triazine
IUPAC
2-chloro-4,6-diethoxy-1,3,5-triazine

Names & synonyms

2-chloro-4,6-diethoxy-1,3,5-triazine30894-75-8DTXSID60275358RefChem:258650DTXCID60226805SCHEMBL6051593NWZSQZIPVJLICE-UHFFFAOYSA-NAKOS003193928

Database identifiers

CAS
30894-75-8
PubChem CID
35649
DTXSID
DTXSID60275358
Nikkaji
J596.032K

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
57.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
136

Related reactions

5 records
New reaction record
HRID 812672 reaction equation
HRID 812672As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 990209 reaction equation
HRID 990209As reactantuspto-grants-2002_10
HRID 990210 reaction equation
HRID 990210As reactantuspto-grants-2002_10
HRID 1131198 reaction equation
HRID 1131198As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1854777 reaction equation
HRID 1854777As reactantuspto-grants-2015_02

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes