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13416-17-6 | 3-(2-methoxyethyl)-2-[2-[[3-(2-methoxyethyl)-5-phenyl-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium iodide
CAS No: 13416-17-6 Catalog No: AG00AJ8F MDL No:
Product Description
Catalog Number:
AG00AJ8F
Chemical Name:
3-(2-methoxyethyl)-2-[2-[[3-(2-methoxyethyl)-5-phenyl-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium iodide
CAS Number:
13416-17-6
IUPAC Name:
3-(2-methoxyethyl)-2-[2-[[3-(2-methoxyethyl)-5-phenyl-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-5-phenyl-1,3-benzoxazole;iodide
InChI:
InChI=1S/C37H37N2O4.HI/c1-4-27(23-36-38(19-21-40-2)32-25-30(15-17-34(32)42-36)28-11-7-5-8-12-28)24-37-39(20-22-41-3)33-26-31(16-18-35(33)43-37)29-13-9-6-10-14-29;/h5-18,23-26H,4,19-22H2,1-3H3;1H/q+1;/p-1
InChI Key:
ZJLZKBRBTKTKHW-UHFFFAOYSA-M
EC Number:
236-511-2
Properties
Complexity:
855
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
700.18g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
700.617g/mol
Monoisotopic Mass:
700.18g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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