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141789-64-2 | Pyrimidine, 2-[4-(bromomethyl)phenyl]-5-(4-butylphenyl)-
CAS No: 141789-64-2 Catalog No: AG001H6V MDL No:
Product Description
Catalog Number:
AG001H6V
Chemical Name:
Pyrimidine, 2-[4-(bromomethyl)phenyl]-5-(4-butylphenyl)-
CAS Number:
141789-64-2
Molecular Formula:
C21H21BrN2
Molecular Weight:
381.3088
IUPAC Name:
2-[4-(bromomethyl)phenyl]-5-(4-butylphenyl)pyrimidine
InChI:
InChI=1S/C21H21BrN2/c1-2-3-4-16-5-9-18(10-6-16)20-14-23-21(24-15-20)19-11-7-17(13-22)8-12-19/h5-12,14-15H,2-4,13H2,1H3
InChI Key:
BPHXWTHHKCZDRW-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)c1cnc(nc1)c1ccc(cc1)CBr
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.317g/mol
Monoisotopic Mass:
380.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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