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123533-43-7 | Imidazo[1,2-a]pyrimidine-3-carboxylic acid, 2-phenyl-
CAS No: 123533-43-7 Catalog No: AG000KQT MDL No:
Product Description
Catalog Number:
AG000KQT
Chemical Name:
Imidazo[1,2-a]pyrimidine-3-carboxylic acid, 2-phenyl-
CAS Number:
123533-43-7
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
IUPAC Name:
2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
InChI:
InChI=1S/C13H9N3O2/c17-12(18)11-10(9-5-2-1-3-6-9)15-13-14-7-4-8-16(11)13/h1-8H,(H,17,18)
InChI Key:
OHDZDYDRTBDVCR-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(nc2n1cccn2)c1ccccc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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