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

3-Butoxy-1,2,4,5-tetrachlorobenzene

HCID 228516
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
5435-67-6
Standard SMILES
CCCCOc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIKey
IJVHFDIDNXFTFW-UHFFFAOYSA-N
Molecular formula
C10H10Cl4O
Average molar mass
288 g/mol
Monoisotopic mass
285.948576

Names & identifiers

Preferred name
3-Butoxy-1,2,4,5-tetrachlorobenzene
IUPAC
3-butoxy-1,2,4,5-tetrachlorobenzene

Names & synonyms

3-butoxy-1,2,4,5-tetrachlorobenzene5435-67-6NSC57907NCIOpen2_002362NCIOpen2_002488DTXSID90281386NSC21489NSC57908NSC-21489NSC-57907NSC-579083-butoxy-1,2,4,5-tetrachloro-benzene
Show more names
DS-004770

Database identifiers

CAS
5435-67-6
PubChem CID
228516
DTXSID
DTXSID90281386
Nikkaji
J156.461G

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
176

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

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