Basic information
- CAS
68770-80-9- Standard SMILES
O=Cc1c(Cl)n(C(=O)c2cccc(Br)c2)c2ccccc12- InChIKey
JCQUNBLYXASASW-UHFFFAOYSA-N- Molecular formula
- C16H9BrClNO2
- Average molar mass
- 362.6 g/mol
- Monoisotopic mass
- 360.95052
Names & identifiers
- Preferred name
- 1-(3-Bromobenzoyl)-2-chloro-1H-indole-3-carbaldehyde
- IUPAC
- 1-(3-bromobenzoyl)-2-chloroindole-3-carbaldehyde
- English name
- 1-(3-broMobenzoyl)-2-chloro-1H-indole-3-carbaldehyde
- Molecular formula
- C16H9BrClNO2
- Molecular weight
- 362.61
Names & synonyms
68770-80-91-(3-Bromobenzoyl)-2-chloro-1H-indole-3-carbaldehyde1-(3-bromobenzoyl)-2-chloroindole-3-carbaldehydeNSC286444DTXSID90314608EX-A15006NSC-286444BC 11-381H-Indole-3-carboxaldehyde, 1-(3-bromobenzoyl)-2-chloro-
Database identifiers
- CAS
68770-80-9- PubChem CID
- 323735
- DTXSID
DTXSID90314608
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Boiling point
- 421.8 · 421.8±37.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
UsesBC 11-38 is a selective inhibitor of phosphodiesterase 11. Potent PDE-11 inhibitor
Suppliers3 total
韶关市启程生物科技有限公司18122215013 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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