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890091-46-0 | 7-(3-Chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CAS No: 890091-46-0 Catalog No: AG01FM5I MDL No:MFCD04971640
Product Description
Catalog Number:
AG01FM5I
Chemical Name:
7-(3-Chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CAS Number:
890091-46-0
Molecular Formula:
C18H12ClN3O
Molecular Weight:
321.7604
MDL Number:
MFCD04971640
IUPAC Name:
7-(3-chlorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C18H12ClN3O/c19-13-7-4-8-14(9-13)22-10-15(12-5-2-1-3-6-12)16-17(22)20-11-21-18(16)23/h1-11H,(H,20,21,23)
InChI Key:
CHXYMVHDBQODDL-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)n1cc(c2c1ncnc2O)c1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.067g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.764g/mol
Monoisotopic Mass:
321.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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