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Home > Fluorides > 138516-81-1
138516-81-1 | Pentanedioic acid, 1-(2,3,4,5,6-pentafluorophenyl) 5-(phenylmethyl) ester
CAS No: 138516-81-1 Catalog No: AG0019CQ MDL No:
Product Description
Catalog Number:
AG0019CQ
Chemical Name:
Pentanedioic acid, 1-(2,3,4,5,6-pentafluorophenyl) 5-(phenylmethyl) ester
CAS Number:
138516-81-1
Molecular Formula:
C18H13F5O4
Molecular Weight:
388.2854
IUPAC Name:
1-O-benzyl 5-O-(2,3,4,5,6-pentafluorophenyl) pentanedioate
InChI:
InChI=1S/C18H13F5O4/c19-13-14(20)16(22)18(17(23)15(13)21)27-12(25)8-4-7-11(24)26-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChI Key:
APXCBDCFOMUBQG-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)CCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.073g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.29g/mol
Monoisotopic Mass:
388.073g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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