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4-Iodobenzenepropanamide

CAT: 0127-OR1004018-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1004018-01Size:50 mg
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CAS Number
2163836-79-9
MDL Number
MFCD35399137
Purity
95%
Smiles
O=C(N)CCC1=CC=C(I)C=C1

Chemical Information

4-IodobenZenepropanamide
CAS Number2163836-79-9
PubChem CID54148270
IUPAC Name3-(4-iodophenyl)propanamide
Molecular FormulaC9H10INO
Molecular Weight275.09
XLogP1.6
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity153
SMILES
C1=CC(=CC=C1CCC(=O)N)I
InChI
InChI=1S/C9H10INO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H2,11,12)
InChIKey
DSFWBYCXWFFTNF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-IodobenZenepropanamide
CAS: 2163836-79-9
CID: 54148270
Formula: C9H10INO
MW: 275.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.09
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass274.98071
Monoisotopic Mass274.98071
Topological Polar Surface Area43.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity153
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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