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898760-79-7 | 3-(3-Bromophenyl)-3',4'-difluoropropiophenone
CAS No: 898760-79-7 Catalog No: AG01EYUC MDL No:
Product Description
Catalog Number:
AG01EYUC
Chemical Name:
3-(3-Bromophenyl)-3',4'-difluoropropiophenone
CAS Number:
898760-79-7
Molecular Formula:
C15H11BrF2O
Molecular Weight:
325.1480
IUPAC Name:
3-(3-bromophenyl)-1-(3,4-difluorophenyl)propan-1-one
InChI:
InChI=1S/C15H11BrF2O/c16-12-3-1-2-10(8-12)4-7-15(19)11-5-6-13(17)14(18)9-11/h1-3,5-6,8-9H,4,7H2
InChI Key:
PFNTUJDWHFJWLR-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CCC(=O)c1ccc(c(c1)F)F
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.153g/mol
Monoisotopic Mass:
323.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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