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37069-74-2 | Benzoxazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzoxazolylidene)methyl]-
CAS No: 37069-74-2 Catalog No: AG007BX4 MDL No:
Product Description
Catalog Number:
AG007BX4
Chemical Name:
Benzoxazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzoxazolylidene)methyl]-
CAS Number:
37069-74-2
Molecular Formula:
C19H19N2O2+
Molecular Weight:
307.3664
IUPAC Name:
(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]-1,3-benzoxazole
InChI:
InChI=1S/C19H19N2O2/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/q+1
InChI Key:
SXJYGDWAGOIGMC-UHFFFAOYSA-N
SMILES:
CC[n+]1c(C=c2oc3c(n2CC)cccc3)oc2c1cccc2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
307.145g/mol
Formal Charge:
1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.373g/mol
Monoisotopic Mass:
307.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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