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(Q83064365)
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English
Benzonitrile, 2-methoxy-6-nitro-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
178.037842052
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₆N₂O₃
0 references
canonical SMILES
COC1=CC=CC(=C1C#N)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C8H6N2O3/c1-13-8-4-2-3-7(10(11)12)6(8)5-9/h2-4H,1H3
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InChIKey
ZHJPRHIYTNVTLI-UHFFFAOYSA-N
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CAS Registry Number
38469-85-1
1 reference
InChIKey
ZHJPRHIYTNVTLI-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=38469-85-1
PubChem CID
38048
1 reference
matched by identifier from
InChIKey
InChIKey
ZHJPRHIYTNVTLI-UHFFFAOYSA-N
UniChem compound ID
4596991
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40191789
1 reference
matched by identifier from
InChIKey
InChIKey
ZHJPRHIYTNVTLI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30114280
0 references
NSC number
27010
0 references
UNII
5XEV79VYJ3
1 reference
matched by identifier from
InChIKey
InChIKey
ZHJPRHIYTNVTLI-UHFFFAOYSA-N
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