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6-Nitro-2-toluonitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
162.042927432
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₆N₂O₂
0 references
canonical SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])C#N
0 references
Identifiers
InChI
InChI=1S/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3
0 references
InChIKey
BOTPDHNZLRJZOO-UHFFFAOYSA-N
0 references
CAS Registry Number
1885-76-3
1 reference
InChIKey
BOTPDHNZLRJZOO-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1885-76-3
PubChem CID
74669
1 reference
matched by identifier from
InChIKey
InChIKey
BOTPDHNZLRJZOO-UHFFFAOYSA-N
UniChem compound ID
6754737
1 reference
stated in
UniChem
NMRShiftDB structure ID
20055862
1 reference
matched by identifier from
InChIKey
InChIKey
BOTPDHNZLRJZOO-UHFFFAOYSA-N
DSSTox substance ID
DTXSID90172205
1 reference
matched by identifier from
InChIKey
InChIKey
BOTPDHNZLRJZOO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID1094696
0 references
UNII
GT87Y8H8FY
1 reference
matched by identifier from
InChIKey
InChIKey
BOTPDHNZLRJZOO-UHFFFAOYSA-N
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