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1257391-88-0 | 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-(4-fluorophenyl)-7-phenyl-
CAS No: 1257391-88-0 Catalog No: AG000OLN MDL No:
Product Description
Catalog Number:
AG000OLN
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-(4-fluorophenyl)-7-phenyl-
CAS Number:
1257391-88-0
Molecular Formula:
C18H11ClFN3
Molecular Weight:
323.7514
IUPAC Name:
4-chloro-6-(4-fluorophenyl)-7-phenylpyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C18H11ClFN3/c19-17-15-10-16(12-6-8-13(20)9-7-12)23(18(15)22-11-21-17)14-4-2-1-3-5-14/h1-11H
InChI Key:
PMEKECWKQLRLPT-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cc2c(n1c1ccccc1)ncnc2Cl
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.755g/mol
Monoisotopic Mass:
323.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Synthesis of new pyrrolo[2,3-d]pyrimidine derivatives as antibacterial and antifungal agents. | European journal of medicinal chemistry 20101101 |
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