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603067-06-7 | 5H-Isoxazolo[5,4-b]azepine,3-(2-benzofuranyl)-6,7,8,8a-tetrahydro-(9CI)
CAS No: 603067-06-7 Catalog No: AG00F7UK MDL No:
Product Description
Catalog Number:
AG00F7UK
Chemical Name:
5H-Isoxazolo[5,4-b]azepine,3-(2-benzofuranyl)-6,7,8,8a-tetrahydro-(9CI)
CAS Number:
603067-06-7
IUPAC Name:
3-(1-benzofuran-2-yl)-6,7,8,8a-tetrahydro-5H-[1,2]oxazolo[5,4-b]azepine
InChI:
InChI=1S/C15H14N2O2/c1-2-7-12-10(5-1)9-13(18-12)14-11-6-3-4-8-16-15(11)19-17-14/h1-2,5-7,9,15-16H,3-4,8H2
InChI Key:
JNPYVXXNWQQPBY-UHFFFAOYSA-N
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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