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80058-85-1 | 4-PHENOXY-2,6-DIISOPROPYL ANILINE
CAS No: 80058-85-1 Catalog No: AG005DI3 MDL No:MFCD09835410
Product Description
Catalog Number:
AG005DI3
Chemical Name:
4-PHENOXY-2,6-DIISOPROPYL ANILINE
CAS Number:
80058-85-1
Molecular Formula:
C18H23NO
Molecular Weight:
269.3813
MDL Number:
MFCD09835410
IUPAC Name:
4-phenoxy-2,6-di(propan-2-yl)aniline
InChI:
InChI=1S/C18H23NO/c1-12(2)16-10-15(11-17(13(3)4)18(16)19)20-14-8-6-5-7-9-14/h5-13H,19H2,1-4H3
InChI Key:
WRBGLNGTYOVAJO-UHFFFAOYSA-N
SMILES:
CC(c1cc(Oc2ccccc2)cc(c1N)C(C)C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.388g/mol
Monoisotopic Mass:
269.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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