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4-Bromophthalaldehyde

CAT: 0127-OR42048-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR42048-01Size:250 mg
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CAS Number
13209-32-0
MDL Number
MFCD18909276
Purity
95%
Smiles
Brc1ccc(C=O)c(C=O)c1

Chemical Information

4-Bromophthalaldehyde
CAS Number13209-32-0
PubChem CID13255257
IUPAC Name4-bromophthalaldehyde
Molecular FormulaC8H5BrO2
Molecular Weight213.03
XLogP1.5
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity158
SMILES
C1=CC(=C(C=C1Br)C=O)C=O
InChI
InChI=1S/C8H5BrO2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-5H
InChIKey
OJHBLBWMMQBLFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromophthalaldehyde
CAS: 13209-32-0
CID: 13255257
Formula: C8H5BrO2
MW: 213.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.03
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass211.94729
Monoisotopic Mass211.94729
Topological Polar Surface Area34.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity158
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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