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19734-08-8

19734-08-8 | 1H-Isoindole, 1,1,3-triphenyl-, 2-oxide

CAS No: 19734-08-8 Catalog No: AG002AQX MDL No:

Product Description

Catalog Number:
AG002AQX
Chemical Name:
1H-Isoindole, 1,1,3-triphenyl-, 2-oxide
CAS Number:
19734-08-8
Molecular Formula:
C26H19NO
Molecular Weight:
361.4352
IUPAC Name:
2-oxido-1,1,3-triphenylisoindol-2-ium
InChI:
InChI=1S/C26H19NO/c28-27-25(20-12-4-1-5-13-20)23-18-10-11-19-24(23)26(27,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChI Key:
CZJPCMAJFQJWBH-UHFFFAOYSA-N
SMILES:
[O-][N+]1=C(c2ccccc2)c2c(C1(c1ccccc1)c1ccccc1)cccc2

Properties

Complexity:
545  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.147g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.444g/mol
Monoisotopic Mass:
361.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
28.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  

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