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(Q81977693)
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English
Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethyl-, (2-methyl[1,1'-biphenyl]-3-yl)methyl ester, (1R,3R)-rel-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
422.126042284
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₂₂ClF₃O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3
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InChIKey
OMFRMAHOUUJSGP-UHFFFAOYSA-N
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CAS Registry Number
99267-18-2
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PubChem CID
54901
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
SureChEMBL ID
SCHEMBL22469
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
25174865
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20669951
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DSSTOX compound identifier
DTXCID901030514
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Human Metabolome Database ID
HMDB0242475
1 reference
based on heuristic
inferred from InChIKey
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