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2-Chloro-4-methoxypyrimidine

CAT: 0013-GTR19251685-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251685-01Size:100 mg
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Description
2-Chloro-4-methoxypyrimidine
CAS Number
22536-63-6
Smiles
COC1=CC=NC (Cl) =N1
Molecular Formula
C5H5ClN2O
Molecular Weight
144.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Chloro-4-methoxypyrimidine
CAS Number22536-63-6
PubChem CID588935
IUPAC Name2-chloro-4-methoxypyrimidine
Molecular FormulaC5H5ClN2O
Molecular Weight144.56
XLogP1.5
Topological Polar Surface Area35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity91
SMILES
COC1=NC(=NC=C1)Cl
InChI
InChI=1S/C5H5ClN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKey
BDXYNMVQMBCTDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-4-methoxypyrimidine
CAS: 22536-63-6
CID: 588935
Formula: C5H5ClN2O
MW: 144.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.56
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass144.0090405
Monoisotopic Mass144.0090405
Topological Polar Surface Area35 Ų
Heavy Atom Count9
Formal Charge0
Complexity91
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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