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English
2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
225.116506972
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₆FNO₂
0 references
canonical SMILES
CC(C(O)c1ccccc1)N(C)C(=O)CF
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]([C@H](C1=CC=CC=C1)O)N(C)C(=O)CF
0 references
Identifiers
InChI
InChI=1S/C12H16FNO2/c1-9(14(2)11(15)8-13)12(16)10-6-4-3-5-7-10/h3-7,9,12,16H,8H2,1-2H3/t9-,12+/m0/s1
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InChIKey
KSTGIVVNSIGUMP-JOYOIKCWSA-N
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CAS Registry Number
204323-36-4
1 reference
InChIKey
KSTGIVVNSIGUMP-JOYOIKCWSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=204323-36-4
PubChem CID
11790868
1 reference
matched by identifier from
InChIKey
InChIKey
KSTGIVVNSIGUMP-JOYOIKCWSA-N
UniChem compound ID
10545901
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50472879
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
KSTGIVVNSIGUMP-JOYOIKCWSA-N
DSSTOX compound identifier
DTXCID40423693
0 references
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