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1239876-17-5 | 7H-Pyrrolo[2,3-d]pyrimidine, 2-chloro-4-(4-fluorophenyl)-
CAS No: 1239876-17-5 Catalog No: AG000LBV MDL No:
Product Description
Catalog Number:
AG000LBV
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 2-chloro-4-(4-fluorophenyl)-
CAS Number:
1239876-17-5
Molecular Formula:
C12H7ClFN3
Molecular Weight:
247.6555
IUPAC Name:
2-chloro-4-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C12H7ClFN3/c13-12-16-10(7-1-3-8(14)4-2-7)9-5-6-15-11(9)17-12/h1-6H,(H,15,16,17)
InChI Key:
IOERXGBTOARORM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nc(Cl)nc2c1cc[nH]2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.657g/mol
Monoisotopic Mass:
247.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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