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1228504-12-8 | 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-(4-fluorophenyl)-7-(3-methylphenyl)-
CAS No: 1228504-12-8 Catalog No: AG000JLI MDL No:
Product Description
Catalog Number:
AG000JLI
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-(4-fluorophenyl)-7-(3-methylphenyl)-
CAS Number:
1228504-12-8
Molecular Formula:
C19H13ClFN3
Molecular Weight:
337.7780
IUPAC Name:
4-chloro-5-(4-fluorophenyl)-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C19H13ClFN3/c1-12-3-2-4-15(9-12)24-10-16(13-5-7-14(21)8-6-13)17-18(20)22-11-23-19(17)24/h2-11H,1H3
InChI Key:
CUIGPCHXGVRYGB-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cn(c2c1c(Cl)ncn2)c1cccc(c1)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.078g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.782g/mol
Monoisotopic Mass:
337.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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