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102408-54-8 | Phenol, 4-(5-decyl-2-pyrimidinyl)-
CAS No: 102408-54-8 Catalog No: AG0007DQ MDL No:
Product Description
Catalog Number:
AG0007DQ
Chemical Name:
Phenol, 4-(5-decyl-2-pyrimidinyl)-
CAS Number:
102408-54-8
Molecular Formula:
C20H28N2O
Molecular Weight:
312.4491
IUPAC Name:
4-(5-decylpyrimidin-2-yl)phenol
InChI:
InChI=1S/C20H28N2O/c1-2-3-4-5-6-7-8-9-10-17-15-21-20(22-16-17)18-11-13-19(23)14-12-18/h11-16,23H,2-10H2,1H3
InChI Key:
AQFOPOSIKGCYAM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1cnc(nc1)c1ccc(cc1)O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.22g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.457g/mol
Monoisotopic Mass:
312.22g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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