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Home > Imidazoles > 849199-59-3
849199-59-3 | Imidazo[1,5-a]pyrazin-8(7H)-one, 5-phenyl-
CAS No: 849199-59-3 Catalog No: AG004PPZ MDL No:
Product Description
Catalog Number:
AG004PPZ
Chemical Name:
Imidazo[1,5-a]pyrazin-8(7H)-one, 5-phenyl-
CAS Number:
849199-59-3
Molecular Formula:
C12H9N3O
Molecular Weight:
211.2194
IUPAC Name:
5-phenyl-7H-imidazo[1,5-a]pyrazin-8-one
InChI:
InChI=1S/C12H9N3O/c16-12-11-6-13-8-15(11)10(7-14-12)9-4-2-1-3-5-9/h1-8H,(H,14,16)
InChI Key:
KQYZDNQSWGIAAQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc(n2c1cnc2)c1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.075g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.224g/mol
Monoisotopic Mass:
211.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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