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3-Bromo-6-hydroxy-2-nitrobenzaldehyde

CAT: 0127-OR1060556-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1060556-01Size:100 mg
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CAS Number
1260783-83-2
Purity
98%
Smiles
O=CC1=C(O)C=CC(Br)=C1[N+]([O-])=O

Chemical Information

3-Bromo-6-hydroxy-2-nitrobenzaldehyde
CAS Number1260783-83-2
PubChem CID129963012
IUPAC Name3-bromo-6-hydroxy-2-nitrobenzaldehyde
Molecular FormulaC7H4BrNO4
Molecular Weight246.01
XLogP2.1
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity217
SMILES
C1=CC(=C(C(=C1O)C=O)[N+](=O)[O-])Br
InChI
InChI=1S/C7H4BrNO4/c8-5-1-2-6(11)4(3-10)7(5)9(12)13/h1-3,11H
InChIKey
YOQOQJOZJPMUIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-6-hydroxy-2-nitrobenzaldehyde
CAS: 1260783-83-2
CID: 129963012
Formula: C7H4BrNO4
MW: 246.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.01
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass244.93237
Monoisotopic Mass244.93237
Topological Polar Surface Area83.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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