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Home > Fluorides > 123843-75-4
123843-75-4 | Benzoic acid, 4-butoxy-2-fluoro-, 4-cyano-3-fluorophenyl ester
CAS No: 123843-75-4 Catalog No: AG000L5P MDL No:
Product Description
Catalog Number:
AG000L5P
Chemical Name:
Benzoic acid, 4-butoxy-2-fluoro-, 4-cyano-3-fluorophenyl ester
CAS Number:
123843-75-4
Molecular Formula:
C18H15F2NO3
Molecular Weight:
331.3134
IUPAC Name:
(4-cyano-3-fluorophenyl) 4-butoxy-2-fluorobenzoate
InChI:
InChI=1S/C18H15F2NO3/c1-2-3-8-23-13-6-7-15(17(20)9-13)18(22)24-14-5-4-12(11-21)16(19)10-14/h4-7,9-10H,2-3,8H2,1H3
InChI Key:
BJKYDWUQVGDJIY-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(c(c1)F)C(=O)Oc1ccc(c(c1)F)C#N
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.102g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.319g/mol
Monoisotopic Mass:
331.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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