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(Q82209068)
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English
4-(methylamino)-3-nitrobenzonitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
177.053826464
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₇N₃O₂
0 references
canonical SMILES
CNC1=C(C=C(C=C1)C#N)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C8H7N3O2/c1-10-7-3-2-6(5-9)4-8(7)11(12)13/h2-4,10H,1H3
0 references
InChIKey
KTWMUUHEGDUZCG-UHFFFAOYSA-N
0 references
CAS Registry Number
64910-45-8
0 references
PubChem CID
4600715
1 reference
matched by identifier from
InChIKey
InChIKey
KTWMUUHEGDUZCG-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL2249706
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KTWMUUHEGDUZCG-UHFFFAOYSA-N
UniChem compound ID
12452357
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60404747
1 reference
matched by identifier from
InChIKey
InChIKey
KTWMUUHEGDUZCG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80355601
0 references
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