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87974-08-1 | Pyrimidine, 5-chloro-2-[4-(hexyloxy)phenyl]-
CAS No: 87974-08-1 Catalog No: AG004PAW MDL No:
Product Description
Catalog Number:
AG004PAW
Chemical Name:
Pyrimidine, 5-chloro-2-[4-(hexyloxy)phenyl]-
CAS Number:
87974-08-1
Molecular Formula:
C16H19ClN2O
Molecular Weight:
290.7879
IUPAC Name:
5-chloro-2-(4-hexoxyphenyl)pyrimidine
InChI:
InChI=1S/C16H19ClN2O/c1-2-3-4-5-10-20-15-8-6-13(7-9-15)16-18-11-14(17)12-19-16/h6-9,11-12H,2-5,10H2,1H3
InChI Key:
SGZSCSZUSAGCBM-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)c1ncc(cn1)Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.791g/mol
Monoisotopic Mass:
290.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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