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(Q83073669)
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Nitrofor
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
307.0779905239999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₂F₃N₃O₄
0 references
canonical SMILES
CCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C11H12F3N3O4/c1-3-15(4-2)10-8(16(18)19)5-7(11(12,13)14)6-9(10)17(20)21/h5-6H,3-4H2,1-2H3
0 references
InChIKey
NLLHXVBITYTYHA-UHFFFAOYSA-N
0 references
CAS Registry Number
5254-27-3
0 references
PubChem CID
78912
1 reference
matched by identifier from
InChIKey
InChIKey
NLLHXVBITYTYHA-UHFFFAOYSA-N
ChEBI ID
180606
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H12F3N3O4/c1-3-15(4-2)10-8(16(18)19)5-7(11(12,13)14)6-9(10)17(20)21/h5-6H,3-4H2,1-2H3
UniChem compound ID
26939538
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30200531
1 reference
matched by identifier from
InChIKey
InChIKey
NLLHXVBITYTYHA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60123022
0 references
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