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(Q82887725)
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English
N-(2-Bromo-1-hydroxypropylidene)phenylalanine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
299.015705408
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₄BrNO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(Br)C(=O)NC(Cc1ccccc1)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H14BrNO3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,15)(H,16,17)
0 references
InChIKey
DMSBFCNMHVOUMI-UHFFFAOYSA-N
0 references
CAS Registry Number
94107-39-8
1 reference
InChIKey
DMSBFCNMHVOUMI-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=94107-39-8
PubChem CID
97938
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
23240459
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70916487
0 references
DSSTOX compound identifier
DTXCID601345449
0 references
NSC number
60409
0 references
60410
0 references
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