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(Q83066228)
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English
Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-nitro-
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
320.1721
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₅Cl₂N₃O₃
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canonical SMILES
C1=CC(=CC=C1C(=O)NCN(CCCl)CCCl)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C12H15Cl2N3O3/c13-5-7-16(8-6-14)9-15-12(18)10-1-3-11(4-2-10)17(19)20/h1-4H,5-9H2,(H,15,18)
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InChIKey
TYVFKLZVXGKKMZ-UHFFFAOYSA-N
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CAS Registry Number
40478-20-4
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PubChem CID
218317
1 reference
matched by identifier from
InChIKey
InChIKey
TYVFKLZVXGKKMZ-UHFFFAOYSA-N
UniChem compound ID
65391945
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00193486
1 reference
matched by identifier from
InChIKey
InChIKey
TYVFKLZVXGKKMZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10115977
0 references
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