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Home > Bromides > 1311197-93-9
1311197-93-9 | 1-Butanone, 1-(4-bromo-2-fluorophenyl)-
CAS No: 1311197-93-9 Catalog No: AG000VJQ MDL No:MFCD19237234
Product Description
Catalog Number:
AG000VJQ
Chemical Name:
1-Butanone, 1-(4-bromo-2-fluorophenyl)-
CAS Number:
1311197-93-9
Molecular Formula:
C10H10BrFO
Molecular Weight:
245.0882
MDL Number:
MFCD19237234
IUPAC Name:
1-(4-bromo-2-fluorophenyl)butan-1-one
InChI:
InChI=1S/C10H10BrFO/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h4-6H,2-3H2,1H3
InChI Key:
MHTRFRWNHCLIGT-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(cc1F)Br
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.091g/mol
Monoisotopic Mass:
243.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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