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77052-26-7 | 2,2'-Bibenzoxazole, 2-(2-furanyl)-2,2',3,3'-tetrahydro-
CAS No: 77052-26-7 Catalog No: AG005EO1 MDL No:
Product Description
Catalog Number:
AG005EO1
Chemical Name:
2,2'-Bibenzoxazole, 2-(2-furanyl)-2,2',3,3'-tetrahydro-
CAS Number:
77052-26-7
Molecular Formula:
C18H14N2O3
Molecular Weight:
306.3154
IUPAC Name:
2-(2,3-dihydro-1,3-benzoxazol-2-yl)-2-(furan-2-yl)-3H-1,3-benzoxazole
InChI:
InChI=1S/C18H14N2O3/c1-3-8-14-12(6-1)19-17(22-14)18(16-10-5-11-21-16)20-13-7-2-4-9-15(13)23-18/h1-11,17,19-20H
InChI Key:
KLBGPOVLSIUBJW-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)NC(O2)C1(Oc2c(N1)cccc2)c1ccco1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.321g/mol
Monoisotopic Mass:
306.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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