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Home > Bromides > 1248072-66-3
1248072-66-3 | 1-(2-Bromo-5-fluorophenyl)pentan-2-one
CAS No: 1248072-66-3 Catalog No: AG01ER8H MDL No:
Product Description
Catalog Number:
AG01ER8H
Chemical Name:
1-(2-Bromo-5-fluorophenyl)pentan-2-one
CAS Number:
1248072-66-3
Molecular Formula:
C11H12BrFO
Molecular Weight:
259.1148
IUPAC Name:
1-(2-bromo-5-fluorophenyl)pentan-2-one
InChI:
InChI=1S/C11H12BrFO/c1-2-3-10(14)7-8-6-9(13)4-5-11(8)12/h4-6H,2-3,7H2,1H3
InChI Key:
RDWHHSGMLGPOHH-UHFFFAOYSA-N
SMILES:
CCCC(=O)Cc1cc(F)ccc1Br
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:
3.2
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