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1266522-90-0 | 5H-Cyclopentapyrimidine, 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydro-
CAS No: 1266522-90-0 Catalog No: AG000T1E MDL No:
Product Description
Catalog Number:
AG000T1E
Chemical Name:
5H-Cyclopentapyrimidine, 4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydro-
CAS Number:
1266522-90-0
Molecular Formula:
C13H9Cl2FN2
Molecular Weight:
283.1284
IUPAC Name:
4-chloro-2-(5-chloro-2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
InChI:
InChI=1S/C13H9Cl2FN2/c14-7-4-5-10(16)9(6-7)13-17-11-3-1-2-8(11)12(15)18-13/h4-6H,1-3H2
InChI Key:
GPQMGFFRTFYKHC-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)c1nc(Cl)c2c(n1)CCC2)F
Properties
Complexity:
305
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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