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15185-40-7 | 3-ethyl-2-[(3-ethyl-3H-benzoxazol-2-ylidene)methyl]benzoxazolium iodide
CAS No: 15185-40-7 Catalog No: AG00AZTX MDL No:
Product Description
Catalog Number:
AG00AZTX
Chemical Name:
3-ethyl-2-[(3-ethyl-3H-benzoxazol-2-ylidene)methyl]benzoxazolium iodide
CAS Number:
15185-40-7
IUPAC Name:
(2E)-3-ethyl-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole;iodide
InChI:
InChI=1S/C19H19N2O2.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
MUBIWUSJYHALAS-UHFFFAOYSA-M
EC Number:
239-236-6
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
434.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.277g/mol
Monoisotopic Mass:
434.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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