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898761-31-4 | 3-(4-Bromophenyl)-3'-chloropropiophenone
CAS No: 898761-31-4 Catalog No: AG01EYUY MDL No:
Product Description
Catalog Number:
AG01EYUY
Chemical Name:
3-(4-Bromophenyl)-3'-chloropropiophenone
CAS Number:
898761-31-4
Molecular Formula:
C15H12BrClO
Molecular Weight:
323.6122
IUPAC Name:
3-(4-bromophenyl)-1-(3-chlorophenyl)propan-1-one
InChI:
InChI=1S/C15H12BrClO/c16-13-7-4-11(5-8-13)6-9-15(18)12-2-1-3-14(17)10-12/h1-5,7-8,10H,6,9H2
InChI Key:
IKJGYCWLGDZAJO-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1cccc(c1)Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.976g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.614g/mol
Monoisotopic Mass:
321.976g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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