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Home > Fluorides > 123843-69-6
123843-69-6 | Benzoic acid, 4-pentyl-, 4-cyano-3,5-difluorophenyl ester
CAS No: 123843-69-6 Catalog No: AG000L5Q MDL No:MFCD11053375
Product Description
Catalog Number:
AG000L5Q
Chemical Name:
Benzoic acid, 4-pentyl-, 4-cyano-3,5-difluorophenyl ester
CAS Number:
123843-69-6
Molecular Formula:
C19H17F2NO2
Molecular Weight:
329.3406
MDL Number:
MFCD11053375
IUPAC Name:
(4-cyano-3,5-difluorophenyl) 4-pentylbenzoate
InChI:
InChI=1S/C19H17F2NO2/c1-2-3-4-5-13-6-8-14(9-7-13)19(23)24-15-10-17(20)16(12-22)18(21)11-15/h6-11H,2-5H2,1H3
InChI Key:
ZSDURCFSQJERPJ-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)Oc1cc(F)c(c(c1)F)C#N
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.123g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.347g/mol
Monoisotopic Mass:
329.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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