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4782-17-6 | Benzoxazole,2,2'-(1,2-ethenediyldi-4,1-phenylene)bis[5-(1,1,3,3-tetramethylbutyl)-
CAS No: 4782-17-6 Catalog No: AG01DQ5P MDL No:MFCD08458468
Product Description
Catalog Number:
AG01DQ5P
Chemical Name:
Benzoxazole,2,2'-(1,2-ethenediyldi-4,1-phenylene)bis[5-(1,1,3,3-tetramethylbutyl)-
CAS Number:
4782-17-6
MDL Number:
MFCD08458468
IUPAC Name:
5-(2,4,4-trimethylpentan-2-yl)-2-[4-[(E)-2-[4-[5-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazol-2-yl]phenyl]ethenyl]phenyl]-1,3-benzoxazole
InChI:
InChI=1S/C44H50N2O2/c1-41(2,3)27-43(7,8)33-21-23-37-35(25-33)45-39(47-37)31-17-13-29(14-18-31)11-12-30-15-19-32(20-16-30)40-46-36-26-34(22-24-38(36)48-40)44(9,10)28-42(4,5)6/h11-26H,27-28H2,1-10H3/b12-11+
InChI Key:
ORAOYEJFZNXENT-VAWYXSNFSA-N
EC Number:
225-326-2
Properties
Complexity:
982
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
638.387g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
638.896g/mol
Monoisotopic Mass:
638.387g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14
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