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Compound FL0188

CAT: 0013-GTR19269741-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269741-01Size:1 mg
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Description
Compound FL0188, with CAS No. 1289022-88-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0188 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
1289022-88-3
Purity
99.75% (May vary between batches)
Smiles
CC (C) COc1nc (Cl) ncc1Br
Molecular Formula
C8H10BrClN2O
Molecular Weight
265.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Bromo-2-chloro-4-isobutoxypyrimidine
CAS Number1289022-88-3
PubChem CID79075816
IUPAC Name5-bromo-2-chloro-4-(2-methylpropoxy)pyrimidine
Molecular FormulaC8H10BrClN2O
Molecular Weight265.53
XLogP3.5
Topological Polar Surface Area35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
CC(C)COC1=NC(=NC=C1Br)Cl
InChI
InChI=1S/C8H10BrClN2O/c1-5(2)4-13-7-6(9)3-11-8(10)12-7/h3,5H,4H2,1-2H3
InChIKey
WWOLGOVTRIFEPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-chloro-4-isobutoxypyrimidine
CAS: 1289022-88-3
CID: 79075816
Formula: C8H10BrClN2O
MW: 265.53
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.53
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass263.96650
Monoisotopic Mass263.96650
Topological Polar Surface Area35 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
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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