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2,4-Dichloro-6-morpholinopyrimidine

CAT: 0127-OR471279-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR471279-01Size:100 mg
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CAS Number
52127-83-0
MDL Number
MFCD09746259
Purity
98%
Smiles
Clc1cc(nc(Cl)n1)N2CCOCC2

Chemical Information

4-(2,6-Dichloropyrimidin-4-yl)morpholine
CAS Number52127-83-0
PubChem CID11586699
IUPAC Name4-(2,6-dichloropyrimidin-4-yl)morpholine
Molecular FormulaC8H9Cl2N3O
Molecular Weight234.08
XLogP2.2
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity189
SMILES
C1COCCN1C2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C8H9Cl2N3O/c9-6-5-7(12-8(10)11-6)13-1-3-14-4-2-13/h5H,1-4H2
InChIKey
QGGYMWHOBGSQCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,6-Dichloropyrimidin-4-yl)morpholine
CAS: 52127-83-0
CID: 11586699
Formula: C8H9Cl2N3O
MW: 234.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight234.08
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass233.0122673
Monoisotopic Mass233.0122673
Topological Polar Surface Area38.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity189
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