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2-Chloro-4-(2,4,5-trifluorophenyl)pyrimidine

HCID 24902016
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Basic information

CAS
954218-96-3
Standard SMILES
Fc1cc(F)c(-c2ccnc(Cl)n2)cc1F
InChIKey
RWSLMEDJZYSCPO-UHFFFAOYSA-N
Molecular formula
C10H4ClF3N2
Average molar mass
244.6 g/mol
Monoisotopic mass
244.0015103

Names & identifiers

Preferred name
2-Chloro-4-(2,4,5-trifluorophenyl)pyrimidine
IUPAC
2-chloro-4-(2,4,5-trifluorophenyl)pyrimidine

Names & synonyms

DTXSID701257657AKOS017553837954218-96-32-chloro-4-(2,4,5-trifluorophenyl)pyrimidine

Database identifiers

CAS
954218-96-3
PubChem CID
24902016
DTXSID
DTXSID701257657

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
244

Related reactions

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Compound notes

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