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Compound FL0187

CAT: 0013-GTR19269740-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269740-06Size:100 mg
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Description
Compound FL0187, with CAS No. 1289215-25-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0187 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
1289215-25-3
Purity
97.11% (May vary between batches)
Smiles
CC (C) Oc1nc (Cl) ncc1Br
Molecular Formula
C7H8BrClN2O
Molecular Weight
251.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Bromo-2-chloro-4-(propan-2-yloxy)pyrimidine
CAS Number1289215-25-3
PubChem CID79076021
IUPAC Name5-bromo-2-chloro-4-propan-2-yloxypyrimidine
Molecular FormulaC7H8BrClN2O
Molecular Weight251.51
XLogP3
Topological Polar Surface Area35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity147
SMILES
CC(C)OC1=NC(=NC=C1Br)Cl
InChI
InChI=1S/C7H8BrClN2O/c1-4(2)12-6-5(8)3-10-7(9)11-6/h3-4H,1-2H3
InChIKey
DVALKSPCJMFPRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-chloro-4-(propan-2-yloxy)pyrimidine
CAS: 1289215-25-3
CID: 79076021
Formula: C7H8BrClN2O
MW: 251.51
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.51
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass249.95085
Monoisotopic Mass249.95085
Topological Polar Surface Area35 Ų
Heavy Atom Count12
Formal Charge0
Complexity147
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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GTR19269727-01Compound FL0160

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