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79781-90-1 | 2-((2',4'-DIFLUORO(1,1'-BIPHENYL)-4-YL)OXY)-2-METHYLPROPANOIC ACID ETHYL ESTER
CAS No: 79781-90-1 Catalog No: AG005H95 MDL No:
Product Description
Catalog Number:
AG005H95
Chemical Name:
2-((2',4'-DIFLUORO(1,1'-BIPHENYL)-4-YL)OXY)-2-METHYLPROPANOIC ACID ETHYL ESTER
CAS Number:
79781-90-1
Molecular Formula:
C18H18F2O3
Molecular Weight:
320.3305
IUPAC Name:
ethyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
InChI:
InChI=1S/C18H18F2O3/c1-4-22-17(21)18(2,3)23-14-8-5-12(6-9-14)15-10-7-13(19)11-16(15)20/h5-11H,4H2,1-3H3
InChI Key:
FSRRJCXRXQMNBY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccc(cc1)c1ccc(cc1F)F)(C)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.336g/mol
Monoisotopic Mass:
320.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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