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79110-05-7 | 1-(2-Fluoro-5-nitrophenyl)ethanone
CAS No: 79110-05-7 Catalog No: AG0032IG MDL No:MFCD00277867
Product Description
Catalog Number:
AG0032IG
Chemical Name:
1-(2-Fluoro-5-nitrophenyl)ethanone
CAS Number:
79110-05-7
Molecular Formula:
C8H6FNO3
Molecular Weight:
183.1365
MDL Number:
MFCD00277867
IUPAC Name:
1-(2-fluoro-5-nitrophenyl)ethanone
InChI:
InChI=1S/C8H6FNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3
InChI Key:
BCXOSCQTHVTUET-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(=O)C)F
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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