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Home > Fluorides > 115549-14-9
115549-14-9 | Benzoyl fluoride, 2,4,5-trifluoro-3-nitro-
CAS No: 115549-14-9 Catalog No: AG000G5I MDL No:
Product Description
Catalog Number:
AG000G5I
Chemical Name:
Benzoyl fluoride, 2,4,5-trifluoro-3-nitro-
CAS Number:
115549-14-9
Molecular Formula:
C7HF4NO3
Molecular Weight:
223.0814
IUPAC Name:
2,4,5-trifluoro-3-nitrobenzoyl fluoride
InChI:
InChI=1S/C7HF4NO3/c8-3-1-2(7(11)13)4(9)6(5(3)10)12(14)15/h1H
InChI Key:
DNSOMNRVVDQOTA-UHFFFAOYSA-N
SMILES:
FC(=O)c1cc(F)c(c(c1F)[N+](=O)[O-])F
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.083g/mol
Monoisotopic Mass:
222.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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