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Compound Fr13310

CAT: 0013-GTR19269908-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269908-02Size:5 mg
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Description
Compound Fr13310, with CAS No. 3832-55-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13310 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
3832-55-1
Smiles
CC (=O) NC1=C (OC (F) (F) F) C=CC=C1
Molecular Formula
C9H8F3NO2
Molecular Weight
219.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2'-(Trifluoromethoxy)acetanilide
CAS Number3832-55-1
PubChem CID600772
IUPAC NameN-[2-(trifluoromethoxy)phenyl]acetamide
Molecular FormulaC9H8F3NO2
Molecular Weight219.16
XLogP2.3
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity230
SMILES
CC(=O)NC1=CC=CC=C1OC(F)(F)F
InChI
InChI=1S/C9H8F3NO2/c1-6(14)13-7-4-2-3-5-8(7)15-9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey
KZBHIVIJYKKLHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-(Trifluoromethoxy)acetanilide
CAS: 3832-55-1
CID: 600772
Formula: C9H8F3NO2
MW: 219.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.16
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass219.05071298
Monoisotopic Mass219.05071298
Topological Polar Surface Area38.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity230
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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GTR19269906-01Compound Fr13290
GTR19269894-01Compound Fr13218
GTR19269893-01Compound Fr13217
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GTR19269914-01Compound Fr13355

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