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

Tribromoacetate

HCID 6414
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
31038-17-2
Standard SMILES
O=C([O-])C(Br)(Br)Br
InChIKey
QIONYIKHPASLHO-UHFFFAOYSA-M
Molecular formula
C2Br3O2-
Average molar mass
295.73 g/mol
Monoisotopic mass
292.74484

Names & identifiers

Preferred name
Tribromoacetate
IUPAC
2,2,2-tribromoacetate

Names & synonyms

TRIBROMOACETATEDTXSID6027448231038-17-2RefChem:385789DTXCID30225961

Database identifiers

CAS
31038-17-2
PubChem CID
6414
DTXSID
DTXSID60274482
Nikkaji
J1.313.421I

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
40.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
7
Formal charge
-1
Complexity
77.9

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes