((3-Fluorophenyl)sulfonyl)-L-alanine
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Basic information
- CAS
1160933-45-8- Standard SMILES
C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)O- InChIKey
IWFOGWMBJILJCB-LURJTMIESA-N- Molecular formula
- C9H10FNO4S
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.03145714
Names & identifiers
- Preferred name
- ((3-Fluorophenyl)sulfonyl)-L-alanine
- IUPAC
- (2S)-2-[(3-fluorophenyl)sulfonylamino]propanoic acid
- English name
- ALANINE, N-[(3-FLUOROPHENYL)SULFONYL]-
- Molecular formula
- C9H10FNO4S
- Molecular weight
- 247.24
Names & synonyms
((3-Fluorophenyl)sulfonyl)-L-alanineHY-W031909CS-0075933((3-Fluorophenyl)sulfonyl)alanineN-[(3-FLUOROPHENYL)SULFONYL]ALANINEALANINE, N-[(3-FLUOROPHENYL)SULFONYL]-L-Alanine, N-[(3-fluorophenyl)sulfonyl]-
Database identifiers
- CAS
1160933-45-8- PubChem CID
- 29892965
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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