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53345-78-1 | Pyrimidine, 4-(4-pyridinyl)- (9CI)
CAS No: 53345-78-1 Catalog No: AG00E3I4 MDL No:
Product Description
Catalog Number:
AG00E3I4
Chemical Name:
Pyrimidine, 4-(4-pyridinyl)- (9CI)
CAS Number:
53345-78-1
IUPAC Name:
4-pyridin-4-ylpyrimidine
InChI:
InChI=1S/C9H7N3/c1-4-10-5-2-8(1)9-3-6-11-7-12-9/h1-7H
InChI Key:
UACHOGFPFNIAIG-UHFFFAOYSA-N
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| 1,3-Bis[4-(4-pyrid-yl)pyrimidin-2-ylsulfan-yl]propane. | Acta crystallographica. Section E, Structure reports online 20080501 |
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