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124863-84-9 | 2-Propenal, 3-[5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-, (E)- (9CI)
CAS No: 124863-84-9 Catalog No: AG000MTU MDL No:
Product Description
Catalog Number:
AG000MTU
Chemical Name:
2-Propenal, 3-[5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-4-(4-fluorophenyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-, (E)- (9CI)
CAS Number:
124863-84-9
Molecular Formula:
C27H38FNO2Si
Molecular Weight:
455.6800
IUPAC Name:
(E)-3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridin-3-yl]prop-2-enal
InChI:
InChI=1S/C27H38FNO2Si/c1-18(2)25-22(11-10-16-30)24(20-12-14-21(28)15-13-20)23(26(29-25)19(3)4)17-31-32(8,9)27(5,6)7/h10-16,18-19H,17H2,1-9H3/b11-10+
InChI Key:
KJJYACIUGGXNTO-ZHACJKMWSA-N
SMILES:
O=C/C=C/c1c(c2ccc(cc2)F)c(CO[Si](C(C)(C)C)(C)C)c(nc1C(C)C)C(C)C
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
455.266g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
455.689g/mol
Monoisotopic Mass:
455.266g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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