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84836-33-9 | 4-[2-ethyl-1-(4-fluorophenyl)but-1-en-1-yl]phenyl acetate
CAS No: 84836-33-9 Catalog No: AG004QTI MDL No:
Product Description
Catalog Number:
AG004QTI
Chemical Name:
4-[2-ethyl-1-(4-fluorophenyl)but-1-en-1-yl]phenyl acetate
CAS Number:
84836-33-9
Molecular Formula:
C20H21FO2
Molecular Weight:
312.3779
IUPAC Name:
[4-[2-ethyl-1-(4-fluorophenyl)but-1-enyl]phenyl] acetate
InChI:
InChI=1S/C20H21FO2/c1-4-15(5-2)20(16-6-10-18(21)11-7-16)17-8-12-19(13-9-17)23-14(3)22/h6-13H,4-5H2,1-3H3
InChI Key:
LFVPWWCXDKGUCR-UHFFFAOYSA-N
SMILES:
CCC(=C(c1ccc(cc1)F)c1ccc(cc1)OC(=O)C)CC
NSC Number:
88912
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.384g/mol
Monoisotopic Mass:
312.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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