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1246892-67-0 | 4H-Oxazolo[4,5-c]azepine, 5,6,7,8-tetrahydro-2-(2-pyridinyl)-
CAS No: 1246892-67-0 Catalog No: AG000MLT MDL No:
Product Description
Catalog Number:
AG000MLT
Chemical Name:
4H-Oxazolo[4,5-c]azepine, 5,6,7,8-tetrahydro-2-(2-pyridinyl)-
CAS Number:
1246892-67-0
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine
InChI:
InChI=1S/C12H13N3O/c1-2-7-14-9(4-1)12-15-10-8-13-6-3-5-11(10)16-12/h1-2,4,7,13H,3,5-6,8H2
InChI Key:
HOVBFMUBPNWNQZ-UHFFFAOYSA-N
SMILES:
C1CCc2c(CN1)nc(o2)c1ccccn1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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