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76192-24-0

76192-24-0 | 1-(4-Methylphenyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolinium bromide

CAS No: 76192-24-0 Catalog No: AG01EXBF MDL No:

Product Description

Catalog Number:
AG01EXBF
Chemical Name:
1-(4-Methylphenyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolinium bromide
CAS Number:
76192-24-0
Molecular Formula:
C32H26BrN
Molecular Weight:
504.4595
IUPAC Name:
1-(4-methylphenyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium;bromide
InChI:
InChI=1S/C32H26N.BrH/c1-23-16-19-27(20-17-23)33-31(26-13-6-3-7-14-26)22-30(24-10-4-2-5-11-24)29-21-18-25-12-8-9-15-28(25)32(29)33;/h2-17,19-20,22H,18,21H2,1H3;1H/q+1;/p-1
InChI Key:
VGBQSBPQHLKFFK-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)[n+]1c(cc(c2c1c1ccccc1CC2)c1ccccc1)c1ccccc1.[Br-]

Properties

Complexity:
608  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.125g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.471g/mol
Monoisotopic Mass:
503.125g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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