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(Q83052137)
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English
(6-Chloro-3-hydroxy-4-phenyl-3lambda(5)-quinazolin-2-yl)methyl thiocyanate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
327.02331062
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₀ClN₃OS
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canonical SMILES
C1=CC=C(C=C1)C2=[N+](C(=NC3=C2C=C(C=C3)Cl)CSC#N)[O-]
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Identifiers
InChI
InChI=1S/C16H10ClN3OS/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)20(21)15(19-14)9-22-10-18/h1-8H,9H2
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InChIKey
YROBDNZTTZNXLP-UHFFFAOYSA-N
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CAS Registry Number
27020-28-6
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PubChem CID
494208
1 reference
matched by identifier from
InChIKey
InChIKey
YROBDNZTTZNXLP-UHFFFAOYSA-N
UniChem compound ID
27205705
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20181507
1 reference
matched by identifier from
InChIKey
InChIKey
YROBDNZTTZNXLP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90103998
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NSC number
286151
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UNII
SC4P44CU2D
1 reference
matched by identifier from
InChIKey
InChIKey
YROBDNZTTZNXLP-UHFFFAOYSA-N
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