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42564-24-9 | 5,6,7,8,9,9a-Hexahydro-2-phenyl-3H-imidazo[1,2-a]azepine 1-oxide
CAS No: 42564-24-9 Catalog No: AG00CO2Z MDL No:
Product Description
Catalog Number:
AG00CO2Z
Chemical Name:
5,6,7,8,9,9a-Hexahydro-2-phenyl-3H-imidazo[1,2-a]azepine 1-oxide
CAS Number:
42564-24-9
IUPAC Name:
1-oxido-2-phenyl-5,6,7,8,9,9a-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
InChI:
InChI=1S/C14H18N2O/c17-16-13(12-7-3-1-4-8-12)11-15-10-6-2-5-9-14(15)16/h1,3-4,7-8,14H,2,5-6,9-11H2
InChI Key:
DRTDJJPSHKTBKS-UHFFFAOYSA-N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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