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(Q82680685)
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English
3-[(1S)-1-(3,5-Difluorophenyl)-2-fluoro-2-methylpropyl]azetidine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
243.123484172
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₁₆F₃N
0 references
canonical SMILES
CC(C)(F)C(c1cc(F)cc(F)c1)C1CNC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)([C@@H](C1CNC1)C2=CC(=CC(=C2)F)F)F
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Identifiers
InChI
InChI=1S/C13H16F3N/c1-13(2,16)12(9-6-17-7-9)8-3-10(14)5-11(15)4-8/h3-5,9,12,17H,6-7H2,1-2H3/t12-/m1/s1
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InChIKey
ZNTXMVIPTNSMOS-GFCCVEGCSA-N
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CAS Registry Number
820971-89-9
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PubChem CID
67055359
1 reference
matched by identifier from
InChIKey
InChIKey
ZNTXMVIPTNSMOS-GFCCVEGCSA-N
UniChem compound ID
67229674
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80736330
1 reference
matched by identifier from
InChIKey
InChIKey
ZNTXMVIPTNSMOS-GFCCVEGCSA-N
DSSTOX compound identifier
DTXCID20687074
0 references
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