1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde
Basic information
- CAS
192997-17-4- Standard SMILES
O=Cc1cn(Cc2ccccc2F)c2ccccc12- InChIKey
BIXFNGJGIDLTPF-UHFFFAOYSA-N- Molecular formula
- C16H12FNO
- Average molar mass
- 253.27 g/mol
- Monoisotopic mass
- 253.09029217
Names & identifiers
- Preferred name
- 1-(2-fluorobenzyl)-1H-indole-3-carbaldehyde
- IUPAC
- 1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde
- English name
- 1-(2-Fluoro-benzyl)-1H-indole-3-carbaldehyde
- Molecular formula
- C16H12FNO
- Molecular weight
- 253.27
Names & synonyms
192997-17-41-(2-fluorobenzyl)-1H-indole-3-carbaldehydeDTXSID10354526RefChem:223459DTXCID403055861-(2-Fluoro-benzyl)-1H-indole-3-carbaldehyde1-[(2-fluorophenyl)methyl]indole-3-carbaldehydeMFCD022095551-[(2-fluorophenyl)methyl]-1H-indole-3-carbaldehydeCBMicro_011637Cambridge id 57958051-(2-Fluoro-benzyl)-1 H -indole-3-carbaldehyde
Show more names
AKOS B014316TIMTEC-BB SBB007054CHEMBRDG-BB 5795805ART-CHEM-BB B0143161-(2-fluorobenzyl)indole-3-carbaldehyde1-[(2-fluorophenyl)methyl]-3-indolecarboxaldehyde1H-Indole-3-carboxaldehyde, 1-[(2-fluorophenyl)methyl]-
MLS000693604SCHEMBL4357272CHEMBL1567269SCHEMBL30487286HMS2626E17ALBB-001437SMSF0007860BBL015258
Database identifiers
- CAS
192997-17-4- PubChem CID
- 775586
- DTXSID
DTXSID10354526- ChEMBL
CHEMBL1567269
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 95 · 95-97 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 439.4 · 439.4±30.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
2 records
Compound notes
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