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Thozalinone

CAT: 0926-AAA65505-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-AAA65505-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
655-05-0
MDL Number
MFCD00865449
Smiles
CN (C) C1=NC (=O) C (O1) C2=CC=CC=C2
Molecular Formula
C11H12N2O2
Molecular Weight
204.23 g/mol
Controlled
No

Chemical Information

Thozalinone
CAS Number655-05-0
PubChem CID12602
IUPAC Name2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one
Molecular FormulaC11H12N2O2
Molecular Weight204.22
XLogP1.5
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity280
SMILES
CN(C)C1=NC(=O)C(O1)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O2/c1-13(2)11-12-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey
JJSHYECKYLDYAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thozalinone
CAS: 655-05-0
CID: 12602
Formula: C11H12N2O2
MW: 204.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.22
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass204.089877630
Monoisotopic Mass204.089877630
Topological Polar Surface Area41.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-T398000-5MGThozalinone
467577Thozalinone-d5

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