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141789-57-3 | Pyrimidine, 2-[4-(bromomethyl)phenyl]-5-decyl-
CAS No: 141789-57-3 Catalog No: AG001H6W MDL No:
Product Description
Catalog Number:
AG001H6W
Chemical Name:
Pyrimidine, 2-[4-(bromomethyl)phenyl]-5-decyl-
CAS Number:
141789-57-3
Molecular Formula:
C21H29BrN2
Molecular Weight:
389.3724
IUPAC Name:
2-[4-(bromomethyl)phenyl]-5-decylpyrimidine
InChI:
InChI=1S/C21H29BrN2/c1-2-3-4-5-6-7-8-9-10-19-16-23-21(24-17-19)20-13-11-18(15-22)12-14-20/h11-14,16-17H,2-10,15H2,1H3
InChI Key:
PTCAUIPTRYMTQH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1cnc(nc1)c1ccc(cc1)CBr
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.151g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.381g/mol
Monoisotopic Mass:
388.151g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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