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898761-84-7 | 3-(4-Bromophenyl)-4'-chloro-2'-fluoropropiophenone
CAS No: 898761-84-7 Catalog No: AG01EYVJ MDL No:
Product Description
Catalog Number:
AG01EYVJ
Chemical Name:
3-(4-Bromophenyl)-4'-chloro-2'-fluoropropiophenone
CAS Number:
898761-84-7
Molecular Formula:
C15H11BrClFO
Molecular Weight:
341.6026
IUPAC Name:
3-(4-bromophenyl)-1-(4-chloro-2-fluorophenyl)propan-1-one
InChI:
InChI=1S/C15H11BrClFO/c16-11-4-1-10(2-5-11)3-8-15(19)13-7-6-12(17)9-14(13)18/h1-2,4-7,9H,3,8H2
InChI Key:
YKWCNSWCDNNGJV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1ccc(cc1F)Cl
Properties
Complexity:
305
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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