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

1-Bromo-2,3-dichloro-4-phenoxybenzene

HCID 187682
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
88803-79-6
Standard SMILES
Clc1c(Br)ccc(Oc2ccccc2)c1Cl
InChIKey
WOQJPIHVYSZOKC-UHFFFAOYSA-N
Molecular formula
C12H7BrCl2O
Average molar mass
317.99 g/mol
Monoisotopic mass
315.90573

Names & identifiers

Preferred name
1-Bromo-2,3-dichloro-4-phenoxybenzene
IUPAC
1-bromo-2,3-dichloro-4-phenoxybenzene

Names & synonyms

1-bromo-2,3-dichloro-4-phenoxybenzene88803-79-6Benzene, 1-bromo-2,3-dichloro-4-phenoxy-SCHEMBL11005425DTXSID901008460

Database identifiers

CAS
88803-79-6
PubChem CID
187682
DTXSID
DTXSID901008460

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
221

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