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898760-45-7 | 3-(3-Bromophenyl)-2'-chloropropiophenone
CAS No: 898760-45-7 Catalog No: AG01EYTY MDL No:
Product Description
Catalog Number:
AG01EYTY
Chemical Name:
3-(3-Bromophenyl)-2'-chloropropiophenone
CAS Number:
898760-45-7
Molecular Formula:
C15H12BrClO
Molecular Weight:
323.6122
IUPAC Name:
3-(3-bromophenyl)-1-(2-chlorophenyl)propan-1-one
InChI:
InChI=1S/C15H12BrClO/c16-12-5-3-4-11(10-12)8-9-15(18)13-6-1-2-7-14(13)17/h1-7,10H,8-9H2
InChI Key:
GZKFPUNUVMVVRA-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CCC(=O)c1ccccc1Cl
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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