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Home > Bromides > 1311197-91-7
1311197-91-7 | 1-Pentanone, 1-(4-bromo-2-fluorophenyl)-
CAS No: 1311197-91-7 Catalog No: AG000VJS MDL No:MFCD19237235
Product Description
Catalog Number:
AG000VJS
Chemical Name:
1-Pentanone, 1-(4-bromo-2-fluorophenyl)-
CAS Number:
1311197-91-7
Molecular Formula:
C11H12BrFO
Molecular Weight:
259.1148
MDL Number:
MFCD19237235
IUPAC Name:
1-(4-bromo-2-fluorophenyl)pentan-1-one
InChI:
InChI=1S/C11H12BrFO/c1-2-3-4-11(14)9-6-5-8(12)7-10(9)13/h5-7H,2-4H2,1H3
InChI Key:
WCMNQUAKMCMKJJ-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1ccc(cc1F)Br
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.118g/mol
Monoisotopic Mass:
258.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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