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63870-45-1 | 5,6-DIMETHYL-2-(2-(3-ETHYL-2-(3)-BENZOTHIAZOLYLIDENE)METHYL)-1-BUTENYL)-3-ETHYL-BENZOXAZOLIUM IODIDE
CAS No: 63870-45-1 Catalog No: AG00EDLJ MDL No:
Product Description
Catalog Number:
AG00EDLJ
Chemical Name:
5,6-DIMETHYL-2-(2-(3-ETHYL-2-(3)-BENZOTHIAZOLYLIDENE)METHYL)-1-BUTENYL)-3-ETHYL-BENZOXAZOLIUM IODIDE
CAS Number:
63870-45-1
IUPAC Name:
(2E)-3-ethyl-2-[(2Z)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoxazole;iodide
InChI:
InChI=1S/C25H29N2OS.HI/c1-6-19(16-25-27(8-3)20-11-9-10-12-23(20)29-25)15-24-26(7-2)21-13-17(4)18(5)14-22(21)28-24;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1
InChI Key:
OZPMNWSLSANVJN-UHFFFAOYSA-M
EC Number:
264-534-8
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
532.105g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
532.484g/mol
Monoisotopic Mass:
532.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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