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142039-21-2 | Benzoic acid, 4-amino-2,3,5,6-tetrafluoro-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 142039-21-2 Catalog No: AG001HLO MDL No:
Product Description
Catalog Number:
AG001HLO
Chemical Name:
Benzoic acid, 4-amino-2,3,5,6-tetrafluoro-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
142039-21-2
Molecular Formula:
C11H6F4N2O4
Molecular Weight:
306.1700
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 4-amino-2,3,5,6-tetrafluorobenzoate
InChI:
InChI=1S/C11H6F4N2O4/c12-6-5(7(13)9(15)10(16)8(6)14)11(20)21-17-3(18)1-2-4(17)19/h1-2,16H2
InChI Key:
DRDYCYBRYKPIOL-UHFFFAOYSA-N
SMILES:
O=C(c1c(F)c(F)c(c(c1F)F)N)ON1C(=O)CCC1=O
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.026g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.173g/mol
Monoisotopic Mass:
306.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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