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65475-05-0 | Benzoxazole, 2,2'-(1,7-naphthalenediyl)bis[5-methyl-
CAS No: 65475-05-0 Catalog No: AG006Q5G MDL No:
Product Description
Catalog Number:
AG006Q5G
Chemical Name:
Benzoxazole, 2,2'-(1,7-naphthalenediyl)bis[5-methyl-
CAS Number:
65475-05-0
Molecular Formula:
C26H18N2O2
Molecular Weight:
390.4333
IUPAC Name:
5-methyl-2-[7-(5-methyl-1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
InChI:
InChI=1S/C26H18N2O2/c1-15-6-10-23-21(12-15)27-25(29-23)18-9-8-17-4-3-5-19(20(17)14-18)26-28-22-13-16(2)7-11-24(22)30-26/h3-14H,1-2H3
InChI Key:
MZSRRPFODRGPBP-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(o2)c1ccc2c(c1)c(ccc2)c1nc2c(o1)ccc(c2)C
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.137g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.442g/mol
Monoisotopic Mass:
390.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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