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(Q82232048)
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{4-[(E)-2-Nitroethenyl]phenyl}boronic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
193.054638136
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₈H₈BNO₄
0 references
canonical SMILES
O=[N+]([O-])/C=C/c1ccc(B(O)O)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
B(C1=CC=C(C=C1)/C=C/[N+](=O)[O-])(O)O
0 references
Identifiers
InChI
InChI=1S/C8H8BNO4/c11-9(12)8-3-1-7(2-4-8)5-6-10(13)14/h1-6,11-12H/b6-5+
0 references
InChIKey
GMEGTAODWQPCOD-AATRIKPKSA-N
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CAS Registry Number
216394-04-6
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PubChem CID
5708381
1 reference
matched by identifier from
InChIKey
InChIKey
GMEGTAODWQPCOD-AATRIKPKSA-N
UniChem compound ID
53657630
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70420751
1 reference
matched by identifier from
InChIKey
InChIKey
GMEGTAODWQPCOD-AATRIKPKSA-N
DSSTOX compound identifier
DTXCID70371597
0 references
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