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203335-99-3 | 1-Azoniabicyclo[2.2.2]octane, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1)
CAS No: 203335-99-3 Catalog No: AG0028TP MDL No:
Product Description
Catalog Number:
AG0028TP
Chemical Name:
1-Azoniabicyclo[2.2.2]octane, 3-hydroxy-1-(phenylmethyl)-, bromide (1:1)
CAS Number:
203335-99-3
Molecular Formula:
C14H20BrNO
Molecular Weight:
298.2187
IUPAC Name:
1-benzyl-1-azoniabicyclo[2.2.2]octan-3-ol;bromide
InChI:
InChI=1S/C14H20NO.BrH/c16-14-11-15(8-6-13(14)7-9-15)10-12-4-2-1-3-5-12;/h1-5,13-14,16H,6-11H2;1H/q+1;/p-1
InChI Key:
NQZUOOSTSXGBLS-UHFFFAOYSA-M
SMILES:
OC1C[N+]2(CCC1CC2)Cc1ccccc1.[Br-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.224g/mol
Monoisotopic Mass:
297.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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