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20662-52-6 | Benzenebutanoic acid, 4-fluoro-γ-(4-fluorophenyl)-
CAS No: 20662-52-6 Catalog No: AG002ILM MDL No:MFCD00128072
Product Description
Catalog Number:
AG002ILM
Chemical Name:
Benzenebutanoic acid, 4-fluoro-γ-(4-fluorophenyl)-
CAS Number:
20662-52-6
Molecular Formula:
C16H14F2O2
Molecular Weight:
276.2780
MDL Number:
MFCD00128072
IUPAC Name:
4,4-bis(4-fluorophenyl)butanoic acid
InChI:
InChI=1S/C16H14F2O2/c17-13-5-1-11(2-6-13)15(9-10-16(19)20)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2,(H,19,20)
InChI Key:
CZNWJIAAVVXYFS-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(c1ccc(cc1)F)c1ccc(cc1)F
EC Number:
243-949-8
UNII:
N1K3Z46J7A
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.283g/mol
Monoisotopic Mass:
276.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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