200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1009032-45-4
1009032-45-4 | 6H-PURIN-6-ONE, 1-(4-FLUOROPHENYL)-1,9-DIHYDRO-9-METHYL-2-(2,3,4-TRIFLUOROPHENOXY)-
CAS No: 1009032-45-4 Catalog No: AG000355 MDL No:
Product Description
Catalog Number:
AG000355
Chemical Name:
6H-PURIN-6-ONE, 1-(4-FLUOROPHENYL)-1,9-DIHYDRO-9-METHYL-2-(2,3,4-TRIFLUOROPHENOXY)-
CAS Number:
1009032-45-4
Molecular Formula:
C18H10F4N4O2
Molecular Weight:
390.2912
IUPAC Name:
1-(4-fluorophenyl)-9-methyl-2-(2,3,4-trifluorophenoxy)purin-6-one
InChI:
InChI=1S/C18H10F4N4O2/c1-25-8-23-15-16(25)24-18(28-12-7-6-11(20)13(21)14(12)22)26(17(15)27)10-4-2-9(19)3-5-10/h2-8H,1H3
InChI Key:
XUVCWSPRHKGBNO-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1c(Oc2ccc(c(c2F)F)F)nc2c(c1=O)ncn2C
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.074g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.298g/mol
Monoisotopic Mass:
390.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.