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(Q82951334)
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English
2-Fluoro-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo[a]azulen-10-ol--hydrogen chloride (1/1)
group of stereoisomers with the chemical formula C₁₅H₁₉ClFNO
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
283.113920128
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₉ClFNO
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN1C2CCC1C1C(O)c3cc(F)ccc3C1C2.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1C2CCC1[C@H]1[C@H](O)c3cc(F)ccc3[C@H]1C2.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H18FNO.ClH/c1-17-9-3-5-13(17)14-11(7-9)10-4-2-8(16)6-12(10)15(14)18;/h2,4,6,9,11,13-15,18H,3,5,7H2,1H3;1H/t9?,11-,13?,14+,15-;/m1./s1
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InChIKey
DAVZSUQXAKKONP-SYNWZPMQSA-N
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CAS Registry Number
53757-98-5
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DSSTox substance ID
DTXSID70968522
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DSSTOX compound identifier
DTXCID401396096
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