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1007-15-4 | Ethanone, 1-(3-bromo-4-fluorophenyl)-
CAS No: 1007-15-4 Catalog No: AG0002NO MDL No:MFCD00042466
Product Description
Catalog Number:
AG0002NO
Chemical Name:
Ethanone, 1-(3-bromo-4-fluorophenyl)-
CAS Number:
1007-15-4
Molecular Formula:
C8H6BrFO
Molecular Weight:
217.0350
MDL Number:
MFCD00042466
IUPAC Name:
1-(3-bromo-4-fluorophenyl)ethanone
InChI:
InChI=1S/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3
InChI Key:
SZDWTGAORQQQGY-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1)Br)F
EC Number:
213-750-0
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.037g/mol
Monoisotopic Mass:
215.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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