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Home > Fluorides > 128403-22-5
128403-22-5 | Ethanone, 1-[2-nitro-4-(trifluoromethyl)phenyl]-
CAS No: 128403-22-5 Catalog No: AG000Y1Z MDL No:MFCD00179139
Product Description
Catalog Number:
AG000Y1Z
Chemical Name:
Ethanone, 1-[2-nitro-4-(trifluoromethyl)phenyl]-
CAS Number:
128403-22-5
Molecular Formula:
C9H6F3NO3
Molecular Weight:
233.1440
MDL Number:
MFCD00179139
IUPAC Name:
1-[2-nitro-4-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H6F3NO3/c1-5(14)7-3-2-6(9(10,11)12)4-8(7)13(15)16/h2-4H,1H3
InChI Key:
SUBBPOYWNZPKFM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C(=O)C)C(F)(F)F
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.146g/mol
Monoisotopic Mass:
233.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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