Basic information
- CAS
196813-43-1- Standard SMILES
CCOc1ccc(-c2cc(Cl)c3cc(S(=O)(=O)F)ccc3n2)cc1OC- InChIKey
BMFXYVIGZFSTAY-UHFFFAOYSA-N- Molecular formula
- C18H15ClFNO4S
- Average molar mass
- 395.8 g/mol
- Monoisotopic mass
- 395.039435
Names & identifiers
- Preferred name
- 4-Chloro-2-(4-ethoxy-3-methoxyphenyl)quinoline-6-sulfonyl fluoride
- IUPAC
- 4-chloro-2-(4-ethoxy-3-methoxyphenyl)quinoline-6-sulfonyl fluoride
Names & synonyms
4-chloro-2-(4-ethoxy-3-methoxyphenyl)quinoline-6-sulfonyl fluoride196813-43-1SCHEMBL65232274-chloro-6-fluorosulfonyl-2-(4-ethoxy-3-methoxyphenyl)quinolineAKOS024430629SB72146
Database identifiers
- CAS
196813-43-1- PubChem CID
- 4454965
- EC Number
- 118-660-4
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 572
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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 CategoriesSkin Corr. 1B (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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