Basic information
- CAS
210888-94-1- Standard SMILES
O=Cc1cccc(-c2ccc3[nH]ccc3c2)c1- InChIKey
QKEKUZYEHOVYSN-UHFFFAOYSA-N- Molecular formula
- C15H11NO
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.08406397
Names & identifiers
- Preferred name
- 3-(1H-indol-5-yl)benzaldehyde
- IUPAC
- 3-(1H-indol-5-yl)benzaldehyde
- English name
- 3-(1H-Indol-5-yl)benzaldehyde
- Molecular formula
- C15H11NO
- Molecular weight
- 221.25
Names & synonyms
3-(1H-indol-5-yl)benzaldehyde210888-94-1SCHEMBL3698604CHEMBL4090782SCHEMBL29953011DTXSID80399742QKEKUZYEHOVYSN-UHFFFAOYSA-N3-(1H-Indol-5-yl)-benzaldehydeBenzaldehyde, 3-(1H-indol-5-yl)-AKOS004113929DS-0165083-(1H-Indol-7-yl)benzaldehyde
Show more names
3-(1H-Indol-6-yl)benzaldehyde
Database identifiers
- CAS
210888-94-1- PubChem CID
- 4135879
- DTXSID
DTXSID80399742- ChEMBL
CHEMBL4090782- Nikkaji
- J979.514F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 461.902 · 461.902±28.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 16.692 · 16.692±0.30(predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
5 records
Compound notes
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