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898760-39-9 | 3-(3-Bromophenyl)-4'-chloro-3'-fluoropropiophenone
CAS No: 898760-39-9 Catalog No: AG01EYTV MDL No:
Product Description
Catalog Number:
AG01EYTV
Chemical Name:
3-(3-Bromophenyl)-4'-chloro-3'-fluoropropiophenone
CAS Number:
898760-39-9
Molecular Formula:
C15H11BrClFO
Molecular Weight:
341.6026
IUPAC Name:
3-(3-bromophenyl)-1-(4-chloro-3-fluorophenyl)propan-1-one
InChI:
InChI=1S/C15H11BrClFO/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:
TVUPZLKYSDZDAJ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CCC(=O)c1ccc(c(c1)F)Cl
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.967g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.604g/mol
Monoisotopic Mass:
339.967g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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