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Home > Fluorides > 142000-77-9
142000-77-9 | Benzoic acid, 2,6-difluoro-4-pentyl-, 4-fluorophenyl ester
CAS No: 142000-77-9 Catalog No: AG001HK0 MDL No:
Product Description
Catalog Number:
AG001HK0
Chemical Name:
Benzoic acid, 2,6-difluoro-4-pentyl-, 4-fluorophenyl ester
CAS Number:
142000-77-9
Molecular Formula:
C18H17F3O2
Molecular Weight:
322.3216
IUPAC Name:
(4-fluorophenyl) 2,6-difluoro-4-pentylbenzoate
InChI:
InChI=1S/C18H17F3O2/c1-2-3-4-5-12-10-15(20)17(16(21)11-12)18(22)23-14-8-6-13(19)7-9-14/h6-11H,2-5H2,1H3
InChI Key:
ZENGVKPOGJWUSF-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(F)c(c(c1)F)C(=O)Oc1ccc(cc1)F
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.118g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.327g/mol
Monoisotopic Mass:
322.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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