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(Q83090778)
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English
m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
270.7125
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₅ClN₂O₃
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canonical SMILES
CC1=C(C(=CC=C1)C(=O)OC)NC(=O)NCCCl
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Identifiers
InChI
InChI=1S/C12H15ClN2O3/c1-8-4-3-5-9(11(16)18-2)10(8)15-12(17)14-7-6-13/h3-5H,6-7H2,1-2H3,(H2,14,15,17)
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InChIKey
XKQQEVUONYSUQX-UHFFFAOYSA-N
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CAS Registry Number
64624-42-6
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PubChem CID
98725
1 reference
matched by identifier from
InChIKey
InChIKey
XKQQEVUONYSUQX-UHFFFAOYSA-N
UniChem compound ID
12522333
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50214872
1 reference
matched by identifier from
InChIKey
InChIKey
XKQQEVUONYSUQX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80137363
0 references
NSC number
162248
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