Organofluorine / Alfa Chemistry
2,4-Difluoropyrimidine

2,4-Difluoropyrimidine

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2,4-Difluoropyrimidine
Catalog OFC2802611
CAS 2802-61-1
Category Fluorinated Pyrimidines
Synonyms 2,4-Difluoropyrimidine
Purity 98%
MDL Number MFCD04972830
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 2,4-difluoropyrimidine
InChI InChI=1S/C4H2F2N2/c5-3-1-2-7-4(6)8-3/h1-2H
InChI Key JZSYSXZDIQUOGP-UHFFFAOYSA-N
Isomeric SMILES C1=CN=C(N=C1F)F
EC Number 631-074-8
Molecular Formula C4H2F2N2
Molecular Weight 116.07
Boiling Point 118-120 °C
Flash Point 41 °C
Density 1.359 g/cm3
XLogP3-AA 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 116.01860440 g/mol
Monoisotopic Mass 116.01860440 g/mol
Topological Polar Surface Area 25.8Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 78.4

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