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88123-61-9 | Pyrimidine, 4-butyl-2,6-diphenyl-
CAS No: 88123-61-9 Catalog No: AG004FIB MDL No:
Product Description
Catalog Number:
AG004FIB
Chemical Name:
Pyrimidine, 4-butyl-2,6-diphenyl-
CAS Number:
88123-61-9
Molecular Formula:
C20H20N2
Molecular Weight:
288.3862
IUPAC Name:
4-butyl-2,6-diphenylpyrimidine
InChI:
InChI=1S/C20H20N2/c1-2-3-14-18-15-19(16-10-6-4-7-11-16)22-20(21-18)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3
InChI Key:
AEIIECSXTGDMCP-UHFFFAOYSA-N
SMILES:
CCCCc1cc(nc(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.394g/mol
Monoisotopic Mass:
288.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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