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898782-39-3 | 3-(3-Bromophenyl)-3'-chloropropiophenone
CAS No: 898782-39-3 Catalog No: AG01EYXD MDL No:
Product Description
Catalog Number:
AG01EYXD
Chemical Name:
3-(3-Bromophenyl)-3'-chloropropiophenone
CAS Number:
898782-39-3
Molecular Formula:
C15H12BrClO
Molecular Weight:
323.6122
IUPAC Name:
3-(3-bromophenyl)-1-(3-chlorophenyl)propan-1-one
InChI:
InChI=1S/C15H12BrClO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-6,9-10H,7-8H2
InChI Key:
KOSQOFFRKDXHJQ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CCC(=O)c1cccc(c1)Cl
Properties
Complexity:
282
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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