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2- (4-Bromophenyl) malondialdehyde

CAT: 0024-sc-259196ASize: 5 gDry Ice: NoHazardous: No
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CAS Number
709648-68-0

Chemical Information

2-(4-Bromophenyl)propanedial
CAS Number709648-68-0
PubChem CID3494646
IUPAC Name2-(4-bromophenyl)propanedial
Molecular FormulaC9H7BrO2
Molecular Weight227.05
XLogP1.7
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
C1=CC(=CC=C1C(C=O)C=O)Br
InChI
InChI=1S/C9H7BrO2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-6,8H
InChIKey
PRLAEKVWSOXWMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Bromophenyl)propanedial
CAS: 709648-68-0
CID: 3494646
Formula: C9H7BrO2
MW: 227.05
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.05
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass225.96294
Monoisotopic Mass225.96294
Topological Polar Surface Area34.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
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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Alternative Products

CatalogName
JDB648682- (4-Bromophenyl) malondialdehyde
OR7620-012- (3-Bromophenyl) malondialdehyde
QCA192282- (4-Methoxyphenyl) malondialdehyde
OR7638-012- (4-Ethoxyphenyl) malondialdehyde
TAA915532- (4-Nitrophenyl) malondialdehyde
BCA076462- (4-Pyridyl) malondialdehyde
OR7653-012- (4-Phenylphenyl) malondialdehyde
DBA648782- (4-Pyrimidyl) malondialdehyde
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