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5-Chloro-2-fluoropyrimidine

CAT: 0926-MCA80237-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-MCA80237-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62802-37-3
MDL Number
MFCD13185833
Smiles
C1=C (C=NC (=N1) F) Cl
Molecular Formula
C4H2ClFN2
Molecular Weight
132.52 g/mol
Controlled
No

Chemical Information

5-Chloro-2-fluoropyrimidine
CAS Number62802-37-3
PubChem CID583264
IUPAC Name5-chloro-2-fluoropyrimidine
Molecular FormulaC4H2ClFN2
Molecular Weight132.52
XLogP1.3
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
C1=C(C=NC(=N1)F)Cl
InChI
InChI=1S/C4H2ClFN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKey
ANIAJJKRVHGEKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-fluoropyrimidine
CAS: 62802-37-3
CID: 583264
Formula: C4H2ClFN2
MW: 132.52
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight132.52
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass131.9890539
Monoisotopic Mass131.9890539
Topological Polar Surface Area25.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.4
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