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(Q82948476)
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English
1,7,7-Trimethyl-3-(trifluoroacetyl)bicyclo[2.2.1]heptan-2-one
group of stereoisomers with the chemical formula C₁₂H₁₅F₃O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
248.10241438
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₅F₃O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC(C(C(=O)C(F)(F)F)C1=O)C2(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2C(=O)C(F)(F)F
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H15F3O2/c1-10(2)6-4-5-11(10,3)8(16)7(6)9(17)12(13,14)15/h6-7H,4-5H2,1-3H3/t6-,7?,11+/m1/s1
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InChIKey
ISLOIHOAZDSEAJ-XGLFCGLISA-N
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CAS Registry Number
51800-98-7
1 reference
InChIKey
ISLOIHOAZDSEAJ-XGLFCGLISA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=51800-98-7
PubChem CID
103545
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
24405618
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70966129
0 references
DSSTOX compound identifier
DTXCID901393778
0 references
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