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823796-02-7 | Pyrimidine, 5-bromo-2-phenyl-4-(1-piperidinyl)-
CAS No: 823796-02-7 Catalog No: AG004Y8T MDL No:
Product Description
Catalog Number:
AG004Y8T
Chemical Name:
Pyrimidine, 5-bromo-2-phenyl-4-(1-piperidinyl)-
CAS Number:
823796-02-7
Molecular Formula:
C15H16BrN3
Molecular Weight:
318.2116
IUPAC Name:
5-bromo-2-phenyl-4-piperidin-1-ylpyrimidine
InChI:
InChI=1S/C15H16BrN3/c16-13-11-17-14(12-7-3-1-4-8-12)18-15(13)19-9-5-2-6-10-19/h1,3-4,7-8,11H,2,5-6,9-10H2
InChI Key:
JQYABBMUTPFEQO-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1N1CCCCC1)c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.053g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.218g/mol
Monoisotopic Mass:
317.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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