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(Q82880298)
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English
1,2-Bis(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
363.05413207999993
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₇H₁₅Cl₂N₃O₂
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canonical SMILES
OC(c1ccccc1Cl)C(O)(Cn1cncn1)c1ccccc1Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC=C(C(=C1)[C@@H]([C@](CN2C=NC=N2)(C3=CC=CC=C3Cl)O)O)Cl
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Identifiers
InChI
InChI=1S/C17H15Cl2N3O2/c18-14-7-3-1-5-12(14)16(23)17(24,9-22-11-20-10-21-22)13-6-2-4-8-15(13)19/h1-8,10-11,16,23-24H,9H2/t16-,17-/m0/s1
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InChIKey
ANLXICFIPWEMIN-IRXDYDNUSA-N
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CAS Registry Number
107659-49-4
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PubChem CID
3007621
1 reference
matched by identifier from
InChIKey
InChIKey
ANLXICFIPWEMIN-IRXDYDNUSA-N
UniChem compound ID
54318218
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30910461
1 reference
matched by identifier from
InChIKey
InChIKey
ANLXICFIPWEMIN-IRXDYDNUSA-N
DSSTOX compound identifier
DTXCID301339508
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