7-Chloro-1H-indole-4-carbaldehyde
Basic information
- CAS
1167055-37-9- Standard SMILES
O=Cc1ccc(Cl)c2[nH]ccc12- InChIKey
IREPJTYUCHCYLI-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0137915
Names & identifiers
- Preferred name
- 7-Chloro-1H-indole-4-carbaldehyde
- IUPAC
- 7-chloro-1H-indole-4-carbaldehyde
- English name
- 1H-Indole-4-carboxaldehyde, 7-chloro-
- Molecular formula
- C9H6ClNO
- Molecular weight
- 179.6
Names & synonyms
7-Chloro-1H-indole-4-carbaldehyde1167055-37-9MFCD118456047-Chloro-4-indole carbaldehyde1H-Indole-4-carboxaldehyde, 7-chloro-SCHEMBL673396DTXSID50694630AS-0629DA-15112SY419591CS-0367475W10342
Show more names
7-Chloroindole-4-carbaxaldehyde7-Chloro-4-indole carbaxaldehyde7-Chloro-1H-indole-4-carboxaldehyde7-Chloro-4-Indole Carbaldehyde(WX624166)7-chloro-1H-indole-4-carbaldehyde - [C81506]
F757293
Database identifiers
- CAS
1167055-37-9- PubChem CID
- 53399503
- DTXSID
DTXSID50694630
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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 statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Related reactions
1 records
Compound notes
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