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16583-08-7 | 2,3,4,5-Tetrafluoro-6-nitrobenzoic acid
CAS No: 16583-08-7 Catalog No: AG003FDF MDL No:MFCD02093916
Product Description
Catalog Number:
AG003FDF
Chemical Name:
2,3,4,5-Tetrafluoro-6-nitrobenzoic acid
CAS Number:
16583-08-7
Molecular Formula:
C7HF4NO4
Molecular Weight:
239.0808
MDL Number:
MFCD02093916
IUPAC Name:
2,3,4,5-tetrafluoro-6-nitrobenzoic acid
InChI:
InChI=1S/C7HF4NO4/c8-2-1(7(13)14)6(12(15)16)5(11)4(10)3(2)9/h(H,13,14)
InChI Key:
JQGBMYKEWLSLCI-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)c(F)c(c(c1[N+](=O)[O-])F)F
EC Number:
605-418-2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.082g/mol
Monoisotopic Mass:
238.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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