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1086375-59-8 | Pentafluorophenyl 4-Amino-3-iodobenzoate
CAS No: 1086375-59-8 Catalog No: AG01FBRQ MDL No:
Product Description
Catalog Number:
AG01FBRQ
Chemical Name:
Pentafluorophenyl 4-Amino-3-iodobenzoate
CAS Number:
1086375-59-8
Molecular Formula:
C13H5F5INO2
Molecular Weight:
429.0808
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) 4-amino-3-iodobenzoate
InChI:
InChI=1S/C13H5F5INO2/c14-7-8(15)10(17)12(11(18)9(7)16)22-13(21)4-1-2-6(20)5(19)3-4/h1-3H,20H2
InChI Key:
MEXVFWDCWMOEGL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)I)N)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.929g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.084g/mol
Monoisotopic Mass:
428.929g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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