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English
(1S)-1-(Chloromethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
group of stereoisomers with the chemical formula C₁₀H₁₅ClO
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
186.08114278
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₅ClO
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1(C)C2CCC1(CCl)C(=O)C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1(C)C2CC[C@@]1(CCl)C(=O)C2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C10H15ClO/c1-9(2)7-3-4-10(9,6-11)8(12)5-7/h7H,3-6H2,1-2H3/t7?,10-/m1/s1
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InChIKey
PKTBHNPYHOMBAI-OMNKOJBGSA-N
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CAS Registry Number
51057-38-6
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PubChem CID
71742746
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
24170201
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50857248
0 references
DSSTOX compound identifier
DTXCID90807989
0 references
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