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101685-42-1 | Quinolizinium, 2,3-bis(3-chlorophenyl)-, bromide (1:1)
CAS No: 101685-42-1 Catalog No: AG00057Q MDL No:
Product Description
Catalog Number:
AG00057Q
Chemical Name:
Quinolizinium, 2,3-bis(3-chlorophenyl)-, bromide (1:1)
CAS Number:
101685-42-1
Molecular Formula:
C21H14BrCl2N
Molecular Weight:
431.1526
IUPAC Name:
2,3-bis(3-chlorophenyl)quinolizin-5-ium;bromide
InChI:
InChI=1S/C21H14Cl2N.BrH/c22-17-7-3-5-15(11-17)20-13-19-9-1-2-10-24(19)14-21(20)16-6-4-8-18(23)12-16;/h1-14H;1H/q+1;/p-1
InChI Key:
LWGYGGLLOVDBDO-UHFFFAOYSA-M
SMILES:
Clc1cccc(c1)c1c[n+]2ccccc2cc1c1cccc(c1)Cl.[Br-]
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.969g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.154g/mol
Monoisotopic Mass:
428.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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