alpha-Bromo-4-hydroxy-3,5-dinitroacetophenone
Basic information
- CAS
120388-18-3- Standard SMILES
O=C(CBr)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
UJNFNGVYNQTWEZ-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2O6
- Average molar mass
- 305.04 g/mol
- Monoisotopic mass
- 303.9331
Overview
a chloride channel blocker
Names & identifiers
- Preferred name
- alpha-Bromo-4-hydroxy-3,5-dinitroacetophenone
- IUPAC
- 2-bromo-1-(4-hydroxy-3,5-dinitrophenyl)ethanone
- English name
- alpha-bromo-4-hydroxy-3,5-dinitroacetophenone
- Molecular formula
- C8H5BrN2O6
- Molecular weight
- 305.04
Names & synonyms
Killer-III120388-18-3alpha-Bromo-4-hydroxy-3,5-dinitroacetophenoneDTXSID40152835Ethanone, 2-bromo-1-(4-hydroxy-3,5-dinitrophenyl)-RefChem:111104DTXCID4075326Killer III2-bromo-1-(4-hydroxy-3,5-dinitrophenyl)ethanoneSCHEMBL117973392-Bromo-1-(4-hydroxy-3,5-dinitrophenyl)ethan-1-one
Database identifiers
- CAS
120388-18-3- PubChem CID
- 129144
- DTXSID
DTXSID40152835
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
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Related reactions
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Compound notes
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