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o-Bromo-nitrostyrene (HCID 187792)|Huagongshe
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Compound
o-Bromo-nitrostyrene
HCID
187792
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=[N+]([O-])C=Cc1ccccc1Br
InChIKey
QKFDNZXJABSGIO-UHFFFAOYSA-N
Molecular formula
C8H6BrNO2
Average molar mass
228.04 g/mol
Names & identifiers
Preferred name
o-Bromo-nitrostyrene
IUPAC
1-bromo-2-(2-nitroethenyl)benzene
Names & synonyms
o-bromo-nitrostyrene
2-bromo-nitrostyrene
SCHEMBL2297149
QKFDNZXJABSGIO-UHFFFAOYSA-N
AKOS026730616
Database identifiers
PubChem CID
187792
Properties
Computed structural properties
XLogP
2.9
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
188
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
380177
As product
uspto-grants-2001_10
HRID
380178
As reactant
uspto-grants-2001_10
Compound notes
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