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Home > Fluorides > 147700-43-4
147700-43-4 | 1H-Purine-2,6-dione, 8-[2-(3-fluorophenyl)ethenyl]-3,7-dihydro-1,3-dipropyl-, (E)- (9CI)
CAS No: 147700-43-4 Catalog No: AG001F4N MDL No:
Product Description
Catalog Number:
AG001F4N
Chemical Name:
1H-Purine-2,6-dione, 8-[2-(3-fluorophenyl)ethenyl]-3,7-dihydro-1,3-dipropyl-, (E)- (9CI)
CAS Number:
147700-43-4
Molecular Formula:
C19H21FN4O2
Molecular Weight:
356.3940
IUPAC Name:
8-[2-(3-fluorophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
InChI:
InChI=1S/C19H21FN4O2/c1-3-10-23-17-16(18(25)24(11-4-2)19(23)26)21-15(22-17)9-8-13-6-5-7-14(20)12-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22)
InChI Key:
WKAOIIMNNQWXSP-UHFFFAOYSA-N
SMILES:
CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)/C=C/c1cccc(c1)F
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.165g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.401g/mol
Monoisotopic Mass:
356.165g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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