Bromoacetylphosphonate

Substructure search Find similar structures

Basic information

CAS: 134780-94-2
Standard SMILES: O=C(CBr)P(=O)(O)O
InChIKey: SIPHYBMYOWLBOA-UHFFFAOYSA-N
Molecular formula: C2H4BrO4P
Average molar mass: 202.93 g/mol
Monoisotopic mass: 201.90306

Overview

alkylates glyceraldehyde-3-phosphate dehydrogenase

Names & identifiers

Preferred name: Bromoacetylphosphonate
IUPAC: (2-bromoacetyl)phosphonic acid
English name: bromoacetylphosphonate
Molecular formula: C2H4BrO4P
Molecular weight: 202.93

Names & synonyms

Bromoacetylphosphonate134780-94-2RefChem:121541(Bromoacetyl)phosphonic acid(2-bromoacetyl)phosphonic acidSCHEMBL2454607CHEMBL5272399Phosphonic acid, (bromoacetyl)-DTXSID80928758Phosphonic acid, P-(2-bromoacetyl)-

Database identifiers

CAS: 134780-94-2
PubChem CID: 126124
DTXSID: DTXSID80928758
ChEMBL: CHEMBL5272399

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 137

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…