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Home > Bromides > 1805555-71-8
1805555-71-8 | Ethanone, 1-(3-bromo-5-fluoro-4-nitrophenyl)-
CAS No: 1805555-71-8 Catalog No: AG00223M MDL No:
Product Description
Catalog Number:
AG00223M
Chemical Name:
Ethanone, 1-(3-bromo-5-fluoro-4-nitrophenyl)-
CAS Number:
1805555-71-8
Molecular Formula:
C8H5BrFNO3
Molecular Weight:
262.0326
IUPAC Name:
1-(3-bromo-5-fluoro-4-nitrophenyl)ethanone
InChI:
InChI=1S/C8H5BrFNO3/c1-4(12)5-2-6(9)8(11(13)14)7(10)3-5/h2-3H,1H3
InChI Key:
YYJROQLVIRPUMT-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(F)c(c(c1)Br)[N+](=O)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.944g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.034g/mol
Monoisotopic Mass:
260.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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