Basic information
- Standard SMILES
CS(=O)(=O)c1cc(F)c2[nH]ccc2c1- InChIKey
FJHNMCSDTNIUDA-UHFFFAOYSA-N- Molecular formula
- C9H8FNO2S
- Average molar mass
- 213.23 g/mol
Names & identifiers
- Preferred name
- 7-fluoro-5-methanesulfonyl-1H-indole
- IUPAC
- 7-fluoro-5-methylsulfonyl-1H-indole
Names & synonyms
1268816-35-87-fluoro-5-methanesulfonyl-1H-indoleRefChem:546469975-395-47-Fluoro-5-(methylsulfonyl)-1H-indoleSCHEMBL8533144FJHNMCSDTNIUDA-UHFFFAOYSA-NMFCD24567304SY390776DB-350746
Database identifiers
- CAS
1268816-35-8- PubChem CID
- 67616149
- EC Number
- 975-395-4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 311
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
2 records
Linked notes
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