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Home > Indoles and Oxindole > 28504-95-2
28504-95-2 | 1H-Isoindole, 2,3-dihydro-2-methyl-1,1-diphenyl-
CAS No: 28504-95-2 Catalog No: AG002VK4 MDL No:
Product Description
Catalog Number:
AG002VK4
Chemical Name:
1H-Isoindole, 2,3-dihydro-2-methyl-1,1-diphenyl-
CAS Number:
28504-95-2
Molecular Formula:
C21H19N
Molecular Weight:
285.3823
IUPAC Name:
2-methyl-3,3-diphenyl-1H-isoindole
InChI:
InChI=1S/C21H19N/c1-22-16-17-10-8-9-15-20(17)21(22,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15H,16H2,1H3
InChI Key:
KCHYSZLVOBCLHT-UHFFFAOYSA-N
SMILES:
CN1Cc2c(C1(c1ccccc1)c1ccccc1)cccc2
NSC Number:
127509
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.39g/mol
Monoisotopic Mass:
285.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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