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400-93-1 | 4'-Fluoro-3'-nitroacetophenone
CAS No: 400-93-1 Catalog No: AG003LEF MDL No:MFCD00115369
Product Description
Catalog Number:
AG003LEF
Chemical Name:
4'-Fluoro-3'-nitroacetophenone
CAS Number:
400-93-1
Molecular Formula:
C8H6FNO3
Molecular Weight:
183.1365
MDL Number:
MFCD00115369
IUPAC Name:
1-(4-fluoro-3-nitrophenyl)ethanone
InChI:
InChI=1S/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
InChI Key:
PTCNZDJJIOLIKQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1F)C(=O)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.138g/mol
Monoisotopic Mass:
183.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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