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BMS-192364

CAT: 0013-GTR19195366-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195366-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-192364
CAS Number
202822-21-7
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C1NC (=NN1C2=CC (Cl) =CC=C2O) C=3C=CC (=CC3) C (F) (F) F
Molecular Formula
C15H9ClF3N3O2
Molecular Weight
355.70
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bms-192364
CAS Number202822-21-7
PubChem CID135565394
IUPAC Name2-(5-chloro-2-hydroxyphenyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-one
Molecular FormulaC15H9ClF3N3O2
Molecular Weight355.70
XLogP3.8
Topological Polar Surface Area64.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity521
SMILES
C1=CC(=CC=C1C2=NN(C(=O)N2)C3=C(C=CC(=C3)Cl)O)C(F)(F)F
InChI
InChI=1S/C15H9ClF3N3O2/c16-10-5-6-12(23)11(7-10)22-14(24)20-13(21-22)8-1-3-9(4-2-8)15(17,18)19/h1-7,23H,(H,20,21,24)
InChIKey
XNRWPJIJOVVQRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-192364
CAS: 202822-21-7
CID: 135565394
Formula: C15H9ClF3N3O2
MW: 355.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.70
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass355.0335387
Monoisotopic Mass355.0335387
Topological Polar Surface Area64.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity521
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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