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87444-91-5

87444-91-5 | 2,4-Diphenyl-5H,6H-1?4-benzo[h]chromen-1-ylium iodide

CAS No: 87444-91-5 Catalog No: AG01EY1O MDL No:

Product Description

Catalog Number:
AG01EY1O
Chemical Name:
2,4-Diphenyl-5H,6H-1?4-benzo[h]chromen-1-ylium iodide
CAS Number:
87444-91-5
Molecular Formula:
C25H19IO
Molecular Weight:
462.3222
IUPAC Name:
2,4-diphenyl-5,6-dihydrobenzo[h]chromen-1-ium;iodide
InChI:
InChI=1S/C25H19O.HI/c1-3-9-18(10-4-1)23-17-24(20-12-5-2-6-13-20)26-25-21-14-8-7-11-19(21)15-16-22(23)25;/h1-14,17H,15-16H2;1H/q+1;/p-1
InChI Key:
ANOFLJWAOUXLPZ-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1cc(c2ccccc2)c2c([o+]1)c1ccccc1CC2.[I-]

Properties

Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.048g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.33g/mol
Monoisotopic Mass:
462.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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