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259266-36-9 | 2,4,6-Cycloheptatrien-1-one, 2-[[2,6-bis(1-methylethyl)phenyl]amino]-
CAS No: 259266-36-9 Catalog No: AG002R34 MDL No:
Product Description
Catalog Number:
AG002R34
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2-[[2,6-bis(1-methylethyl)phenyl]amino]-
CAS Number:
259266-36-9
Molecular Formula:
C19H23NO
Molecular Weight:
281.3920
IUPAC Name:
2-[2,6-di(propan-2-yl)anilino]cyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C19H23NO/c1-13(2)15-9-8-10-16(14(3)4)19(15)20-17-11-6-5-7-12-18(17)21/h5-14H,1-4H3,(H,20,21)
InChI Key:
PTJMCLJPHSVMAW-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1Nc1cccccc1=O)C(C)C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.399g/mol
Monoisotopic Mass:
281.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| New anilinotropone-based titanium complexes: synthesis, characterization and application as catalysts for olefin polymerization. | Dalton transactions (Cambridge, England : 2003) 20050921 |
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