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Home > Indoles and Oxindole > 104134-81-8
104134-81-8 | 1H-Isoindole, 2,3-dihydro-1,1,3-triphenyl-
CAS No: 104134-81-8 Catalog No: AG007EN0 MDL No:
Product Description
Catalog Number:
AG007EN0
Chemical Name:
1H-Isoindole, 2,3-dihydro-1,1,3-triphenyl-
CAS Number:
104134-81-8
Molecular Formula:
C26H21N
Molecular Weight:
347.4516
IUPAC Name:
1,3,3-triphenyl-1,2-dihydroisoindole
InChI:
InChI=1S/C26H21N/c1-4-12-20(13-5-1)25-23-18-10-11-19-24(23)26(27-25,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,25,27H
InChI Key:
TVXMFVZWKLCKHC-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1NC(c2c1cccc2)(c1ccccc1)c1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.167g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.461g/mol
Monoisotopic Mass:
347.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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