Basic information
- CAS
34921-60-3- Standard SMILES
CCc1cc(Br)cc2c1NC(=O)C2=O- InChIKey
CTGQHGOEVARVKX-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO2
- Average molar mass
- 254.08 g/mol
- Monoisotopic mass
- 252.97384
Names & identifiers
- Preferred name
- 5-Bromo-7-ethylindoline-2,3-dione
- IUPAC
- 5-bromo-7-ethyl-1H-indole-2,3-dione
- English name
- 5-BroMo-7-ethylindoline-2,3-dione
- Molecular formula
- C10H8BrNO2
- Molecular weight
- 254.08
Names & synonyms
5-Bromo-7-ethylindoline-2,3-dione34921-60-35-bromo-7-ethyl-1H-indole-2,3-dioneMFCD085321375-bromo-7-ethyl-2,3-dihydro-1H-indole-2,3-dioneSCHEMBL4804284DTXSID80429038CTGQHGOEVARVKX-UHFFFAOYSA-N5-Bromo-7-ethylindoline-23-dioneSTK6895105-bromo-7-ethyl-indoline-2,3-dioneAKOS005172610
Show more names
DS-5896SB66139DB-340796EN300-195440O11383Z1269118805
Database identifiers
- CAS
34921-60-3- PubChem CID
- 8033813
- DTXSID
DTXSID80429038
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Density
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.76 · 8.76±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
Related reactions
7 records
Compound notes
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