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Home > Indoles and Oxindole > 86762-52-9
86762-52-9 | 1,1,3,3-Tetramethyl-5-phenylisoindoline
CAS No: 86762-52-9 Catalog No: AG004N7Z MDL No:
Product Description
Catalog Number:
AG004N7Z
Chemical Name:
1,1,3,3-Tetramethyl-5-phenylisoindoline
CAS Number:
86762-52-9
Molecular Formula:
C18H21N
Molecular Weight:
251.3660
IUPAC Name:
1,1,3,3-tetramethyl-5-phenyl-2H-isoindole
InChI:
InChI=1S/C18H21N/c1-17(2)15-11-10-14(13-8-6-5-7-9-13)12-16(15)18(3,4)19-17/h5-12,19H,1-4H3
InChI Key:
JPEPLUVQOLKGHV-UHFFFAOYSA-N
SMILES:
CC1(C)NC(c2c1cc(cc2)c1ccccc1)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.373g/mol
Monoisotopic Mass:
251.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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