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1263868-30-9 | 5H-Cyclopentapyrimidine, 2,4-dichloro-7-(4-fluorophenyl)-6,7-dihydro-
CAS No: 1263868-30-9 Catalog No: AG000SPM MDL No:
Product Description
Catalog Number:
AG000SPM
Chemical Name:
5H-Cyclopentapyrimidine, 2,4-dichloro-7-(4-fluorophenyl)-6,7-dihydro-
CAS Number:
1263868-30-9
Molecular Formula:
C13H9Cl2FN2
Molecular Weight:
283.1284
IUPAC Name:
2,4-dichloro-7-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
InChI:
InChI=1S/C13H9Cl2FN2/c14-12-10-6-5-9(11(10)17-13(15)18-12)7-1-3-8(16)4-2-7/h1-4,9H,5-6H2
InChI Key:
ATWGDJMSPINOIM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C1CCc2c1nc(Cl)nc2Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.013g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.127g/mol
Monoisotopic Mass:
282.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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