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(Q82907110)
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English
S-(2-Bromo-2-chloro-1,1-difluoroethyl)cysteine
group of stereoisomers with the chemical formula C₅H₇BrClF₂NO₂S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
296.90374568399994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅H₇BrClF₂NO₂S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(CSC(F)(F)C(Cl)Br)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@@H](CSC(F)(F)C(Cl)Br)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C5H7BrClF2NO2S/c6-4(7)5(8,9)13-1-2(10)3(11)12/h2,4H,1,10H2,(H,11,12)/t2-,4?/m0/s1
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InChIKey
AJZBCQOOORDXSP-PTLFGRINSA-N
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CAS Registry Number
142628-08-8
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PubChem CID
126701
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
54286614
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00931547
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DSSTOX compound identifier
DTXCID301360254
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