Isobromindione
Basic information
- CAS
1470-35-5- Standard SMILES
O=C1c2ccc(Br)cc2C(=O)C1c1ccccc1- InChIKey
QFLZIWVSQDZLNW-UHFFFAOYSA-N- Molecular formula
- C15H9BrO2
- Average molar mass
- 301.13 g/mol
- Monoisotopic mass
- 299.97859
Overview
Isobromindione is a member of indanones and a cyclic ketone.
Names & identifiers
- Preferred name
- Isobromindione
- IUPAC
- 5-bromo-2-phenylindene-1,3-dione
- English name
- isobromindione
- Molecular formula
- C15H9BrO2
- Molecular weight
- 0
Names & synonyms
IsobromindioneUridionIsobromindionaIsobromindione [INN]IsobromindionumIsobromindionum [Latin]Isobromindiona [Spanish]5-Bromo-2-phenyl-1H-indene-1,3(2H)-dione5-Bromo-2-phenylindan-1,3-dioneEINECS 216-000-02-Fenil-5-bromo-indandione1,3-Indandione, 5-bromo-2-phenyl-
Show more names
5-Bromo-2-phenyl-1,3-indanedione5-bromo-2-phenylindene-1,3-dione5-bromo-2-phenyl-indene-1,3-dione5-bromo-2-phenyl-indane-1,3-quinone
2-Fenil-5-bromo-indandione [Italian]UNII-J1J87P409KBRN 1878513Isobromindione (INN)J1J87P409K1H-Indene-1,3(2H)-dione, 5-bromo-2-phenyl-ISOBROMINDIONE [MART.]ISOBROMINDIONE [WHO-DD]
Database identifiers
- CAS
1470-35-5- PubChem CID
- 68953
- DTXSID
DTXSID90862674- ChEMBL
CHEMBL2104325- ChEBI
CHEBI:135275- UNII
- J1J87P409K
- EC Number
- 216-000-0
- Nikkaji
- J22.751J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- Density
- 1.4993 · 1.4993 (rough estimate)
- refractive index
- 1.465 · 1.4650 (estimate)
- FDA UNII
- 1 J87P409K · J1J87P409K
- ATC code
- 4 AB04 · M04AB04
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Isobromindione is a member of indanones and a cyclic ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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