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Home > Bromides > 1261680-61-8
1261680-61-8 | 1-Propanone, 1-(3-bromo-2-fluorophenyl)-
CAS No: 1261680-61-8 Catalog No: AG000RYB MDL No:MFCD18391369
Product Description
Catalog Number:
AG000RYB
Chemical Name:
1-Propanone, 1-(3-bromo-2-fluorophenyl)-
CAS Number:
1261680-61-8
Molecular Formula:
C9H8BrFO
Molecular Weight:
231.0616
MDL Number:
MFCD18391369
IUPAC Name:
1-(3-bromo-2-fluorophenyl)propan-1-one
InChI:
InChI=1S/C9H8BrFO/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5H,2H2,1H3
InChI Key:
UZLUQFDXNPIPGV-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cccc(c1F)Br
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.064g/mol
Monoisotopic Mass:
229.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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