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17694-05-2 | 2-[2-(3-Ethyl-5-phenyl-2,3-dihydrobenzoxazole-2-ylidenemethyl)-1-butenyl]-3-ethyl-5-phenylbenzoxazole-3-ium
CAS No: 17694-05-2 Catalog No: AG00AZK3 MDL No:
Product Description
Catalog Number:
AG00AZK3
Chemical Name:
2-[2-(3-Ethyl-5-phenyl-2,3-dihydrobenzoxazole-2-ylidenemethyl)-1-butenyl]-3-ethyl-5-phenylbenzoxazole-3-ium
CAS Number:
17694-05-2
IUPAC Name:
3-ethyl-2-[2-[(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-5-phenyl-1,3-benzoxazole
InChI:
InChI=1S/C35H33N2O2/c1-4-25(21-34-36(5-2)30-23-28(17-19-32(30)38-34)26-13-9-7-10-14-26)22-35-37(6-3)31-24-29(18-20-33(31)39-35)27-15-11-8-12-16-27/h7-24H,4-6H2,1-3H3/q+1
InChI Key:
GJDCORVLYUCREY-UHFFFAOYSA-N
Properties
Complexity:
790
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.254g/mol
Formal Charge:
1
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
513.661g/mol
Monoisotopic Mass:
513.254g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
9.5
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