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2,4,6-Tribromobenzaldehyde

CAT: 0127-OR1024954-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1024954-01Size:250 mg
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CAS Number
45859-98-1
Synonyms
2,4,6-tribromobenzaldehyde
Purity
99%
Smiles
C1=C(C=C(C(=C1Br)C=O)Br)Br

Chemical Information

2,4,6-Tribromobenzaldehyde
CAS Number45859-98-1
PubChem CID10215370
IUPAC Name2,4,6-tribromobenzaldehyde
Molecular FormulaC7H3Br3O
Molecular Weight342.81
XLogP3.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
C1=C(C=C(C(=C1Br)C=O)Br)Br
InChI
InChI=1S/C7H3Br3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H
InChIKey
TXDCDOVILUDCMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Tribromobenzaldehyde
CAS: 45859-98-1
CID: 10215370
Formula: C7H3Br3O
MW: 342.81
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight342.81
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass341.77135
Monoisotopic Mass339.77340
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
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