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28648-89-7 | 4,5'-Bipyrimidine
CAS No: 28648-89-7 Catalog No: AG002VZ7 MDL No:
Product Description
Catalog Number:
AG002VZ7
Chemical Name:
4,5'-Bipyrimidine
CAS Number:
28648-89-7
Molecular Formula:
C8H6N4
Molecular Weight:
158.1600
IUPAC Name:
4-pyrimidin-5-ylpyrimidine
InChI:
InChI=1S/C8H6N4/c1-2-9-6-12-8(1)7-3-10-5-11-4-7/h1-6H
InChI Key:
LLXRHAKGKJMNRR-UHFFFAOYSA-N
SMILES:
c1ncc(cn1)c1ccncn1
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.164g/mol
Monoisotopic Mass:
158.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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