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Home > Fluorides > 177964-68-0
177964-68-0 | 2-Propenal, 3-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-, (2E)-
CAS No: 177964-68-0 Catalog No: AG0025OI MDL No:
Product Description
Catalog Number:
AG0025OI
Chemical Name:
2-Propenal, 3-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-, (2E)-
CAS Number:
177964-68-0
Molecular Formula:
C22H26FNO2
Molecular Weight:
355.4457
IUPAC Name:
3-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]prop-2-enal
InChI:
InChI=1S/C22H26FNO2/c1-14(2)21-18(7-6-12-25)20(16-8-10-17(23)11-9-16)19(13-26-5)22(24-21)15(3)4/h6-12,14-15H,13H2,1-5H3
InChI Key:
HEGITGKZHDOFJZ-UHFFFAOYSA-N
SMILES:
O=C/C=C/c1c(nc(c(c1c1ccc(cc1)F)COC)C(C)C)C(C)C
EC Number:
426-330-9
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.195g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.453g/mol
Monoisotopic Mass:
355.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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