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76063-86-0 | 8H-Imidazo(2,1-f)purine, 8-methyl-7-phenyl-
CAS No: 76063-86-0 Catalog No: AG005GGH MDL No:
Product Description
Catalog Number:
AG005GGH
Chemical Name:
8H-Imidazo(2,1-f)purine, 8-methyl-7-phenyl-
CAS Number:
76063-86-0
Molecular Formula:
C14H11N5
Molecular Weight:
249.2706
IUPAC Name:
6-methyl-7-phenylpurino[7,8-a]imidazole
InChI:
InChI=1S/C14H11N5/c1-18-12(10-5-3-2-4-6-10)8-19-11-7-15-9-16-13(11)17-14(18)19/h2-9H,1H3
InChI Key:
HZFPKSPTKNKUGM-UHFFFAOYSA-N
SMILES:
Cn1c(cn2c1nc1c2cncn1)c1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.277g/mol
Monoisotopic Mass:
249.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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