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122098-02-6 | Benzoxazole, 2,2'-(1,4-phenylene)bis[5,7-bis(1-methylethyl)-
CAS No: 122098-02-6 Catalog No: AG0016RB MDL No:
Product Description
Catalog Number:
AG0016RB
Chemical Name:
Benzoxazole, 2,2'-(1,4-phenylene)bis[5,7-bis(1-methylethyl)-
CAS Number:
122098-02-6
Molecular Formula:
C32H36N2O2
Molecular Weight:
480.6404
IUPAC Name:
2-[4-[5,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]-5,7-di(propan-2-yl)-1,3-benzoxazole
InChI:
InChI=1S/C32H36N2O2/c1-17(2)23-13-25(19(5)6)29-27(15-23)33-31(35-29)21-9-11-22(12-10-21)32-34-28-16-24(18(3)4)14-26(20(7)8)30(28)36-32/h9-20H,1-8H3
InChI Key:
INDRTXUEQUNQMA-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc2c1oc(n2)c1ccc(cc1)c1nc2c(o1)c(cc(c2)C(C)C)C(C)C)C(C)C)C
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.278g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.652g/mol
Monoisotopic Mass:
480.278g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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