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885952-22-7 | 4-(Benzyloxy);-5-bromo-2-(piperidin-1-yl);pyrimidine
CAS No: 885952-22-7 Catalog No: AG003K63 MDL No:MFCD06798239
Product Description
Catalog Number:
AG003K63
Chemical Name:
4-(Benzyloxy);-5-bromo-2-(piperidin-1-yl);pyrimidine
CAS Number:
885952-22-7
Molecular Formula:
C16H18BrN3O
Molecular Weight:
348.2376
MDL Number:
MFCD06798239
IUPAC Name:
5-bromo-4-phenylmethoxy-2-piperidin-1-ylpyrimidine
InChI:
InChI=1S/C16H18BrN3O/c17-14-11-18-16(20-9-5-2-6-10-20)19-15(14)21-12-13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2
InChI Key:
DCCSRNYMWDTVER-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1OCc1ccccc1)N1CCCCC1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.244g/mol
Monoisotopic Mass:
347.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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