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140234-57-7 | Benzoxazole, 5-(hexyloxy)-2-[4-(hexyloxy)phenyl]-
CAS No: 140234-57-7 Catalog No: AG007LZZ MDL No:
Product Description
Catalog Number:
AG007LZZ
Chemical Name:
Benzoxazole, 5-(hexyloxy)-2-[4-(hexyloxy)phenyl]-
CAS Number:
140234-57-7
Molecular Formula:
C25H33NO3
Molecular Weight:
395.5344
IUPAC Name:
5-hexoxy-2-(4-hexoxyphenyl)-1,3-benzoxazole
InChI:
InChI=1S/C25H33NO3/c1-3-5-7-9-17-27-21-13-11-20(12-14-21)25-26-23-19-22(15-16-24(23)29-25)28-18-10-8-6-4-2/h11-16,19H,3-10,17-18H2,1-2H3
InChI Key:
SKFLYEZLAUHQJV-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)c1oc2c(n1)cc(cc2)OCCCCCC
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.246g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.543g/mol
Monoisotopic Mass:
395.246g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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