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2-Bromo-4-iodobenzamide

CAT: 0127-OR314033-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR314033-01Size:100 mg
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CAS Number
1261516-26-0
MDL Number
MFCD18391622
Purity
97%
Smiles
NC(=O)c1ccc(I)cc1Br

Chemical Information

2-Bromo-4-iodobenzamide
CAS Number1261516-26-0
PubChem CID118990823
IUPAC Name2-bromo-4-iodobenzamide
Molecular FormulaC7H5BrINO
Molecular Weight325.93
XLogP2.1
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity165
SMILES
C1=CC(=C(C=C1I)Br)C(=O)N
InChI
InChI=1S/C7H5BrINO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11)
InChIKey
ORXZIYFNBWBQCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-4-iodobenzamide
CAS: 1261516-26-0
CID: 118990823
Formula: C7H5BrINO
MW: 325.93
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.93
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass324.85992
Monoisotopic Mass324.85992
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity165
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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