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Compound Fr12326

CAT: 0013-GTR19269786-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269786-01Size:1 mg
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Description
Compound Fr12326, with CAS No. 19246-04-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12326 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
19246-04-9
Smiles
CC (C) C1=C (NC (C) =O) C=CC=C1
Molecular Formula
C11H15NO
Molecular Weight
177.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-isopropylphenyl)acetamide
CAS Number19246-04-9
PubChem CID2736684
IUPAC NameN-(2-propan-2-ylphenyl)acetamide
Molecular FormulaC11H15NO
Molecular Weight177.24
XLogP1.7
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity177
SMILES
CC(C)C1=CC=CC=C1NC(=O)C
InChI
InChI=1S/C11H15NO/c1-8(2)10-6-4-5-7-11(10)12-9(3)13/h4-8H,1-3H3,(H,12,13)
InChIKey
PTHQJQDKJOVFRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-isopropylphenyl)acetamide
CAS: 19246-04-9
CID: 2736684
Formula: C11H15NO
MW: 177.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.24
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass177.115364102
Monoisotopic Mass177.115364102
Topological Polar Surface Area29.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity177
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

Related Products

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GTR19269911-01Compound Fr13326
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GTR19269796-01Compound Fr12378
GTR19269778-01Compound Fr12220
GTR19269777-01Compound Fr12196
GTR19269774-01Compound Fr12176

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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