200,000+ products from a single source!
sales@angenechem.com
87946-86-9 | Pyrimidine, 2-(3-chloro-4-pentylphenyl)-5-heptyl-
CAS No: 87946-86-9 Catalog No: AG004D5F MDL No:
Product Description
Catalog Number:
AG004D5F
Chemical Name:
Pyrimidine, 2-(3-chloro-4-pentylphenyl)-5-heptyl-
CAS Number:
87946-86-9
Molecular Formula:
C22H31ClN2
Molecular Weight:
358.9479
IUPAC Name:
2-(3-chloro-4-pentylphenyl)-5-heptylpyrimidine
InChI:
InChI=1S/C22H31ClN2/c1-3-5-7-8-10-11-18-16-24-22(25-17-18)20-14-13-19(21(23)15-20)12-9-6-4-2/h13-17H,3-12H2,1-2H3
InChI Key:
RERIIKQXDCJXTQ-UHFFFAOYSA-N
SMILES:
CCCCCCCc1cnc(nc1)c1ccc(c(c1)Cl)CCCCC
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.218g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.954g/mol
Monoisotopic Mass:
358.218g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.