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1239964-09-0 | 2-Butanone, 3-(3-bromo-4-fluorophenyl)-3-methyl-
CAS No: 1239964-09-0 Catalog No: AG000LCG MDL No:
Product Description
Catalog Number:
AG000LCG
Chemical Name:
2-Butanone, 3-(3-bromo-4-fluorophenyl)-3-methyl-
CAS Number:
1239964-09-0
Molecular Formula:
C11H12BrFO
Molecular Weight:
259.1148
IUPAC Name:
3-(3-bromo-4-fluorophenyl)-3-methylbutan-2-one
InChI:
InChI=1S/C11H12BrFO/c1-7(14)11(2,3)8-4-5-10(13)9(12)6-8/h4-6H,1-3H3
InChI Key:
UBPLPAXQAOUDJS-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1ccc(c(c1)Br)F)(C)C
Properties
Complexity:
227
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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