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101077-32-1 | 1H,5H-Benzo[ij]quinolizin-9-ol, 2,3,6,7-tetrahydro-, hydrobromide (1:1)
CAS No: 101077-32-1 Catalog No: AG0003O6 MDL No:
Product Description
Catalog Number:
AG0003O6
Chemical Name:
1H,5H-Benzo[ij]quinolizin-9-ol, 2,3,6,7-tetrahydro-, hydrobromide (1:1)
CAS Number:
101077-32-1
Molecular Formula:
C12H16BrNO
Molecular Weight:
270.1655
IUPAC Name:
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ol;hydrobromide
InChI:
InChI=1S/C12H15NO.BrH/c14-11-7-9-3-1-5-13-6-2-4-10(8-11)12(9)13;/h7-8,14H,1-6H2;1H
InChI Key:
WNMYRKCOPIEARJ-UHFFFAOYSA-N
SMILES:
Oc1cc2CCCN3c2c(c1)CCC3.Br
NSC Number:
659223
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.17g/mol
Monoisotopic Mass:
269.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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