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898787-85-4 | 3'-Bromo-3-(4-chlorophenyl)propiophenone
CAS No: 898787-85-4 Catalog No: AG01EYXN MDL No:
Product Description
Catalog Number:
AG01EYXN
Chemical Name:
3'-Bromo-3-(4-chlorophenyl)propiophenone
CAS Number:
898787-85-4
Molecular Formula:
C15H12BrClO
Molecular Weight:
323.6122
IUPAC Name:
1-(3-bromophenyl)-3-(4-chlorophenyl)propan-1-one
InChI:
InChI=1S/C15H12BrClO/c16-13-3-1-2-12(10-13)15(18)9-6-11-4-7-14(17)8-5-11/h1-5,7-8,10H,6,9H2
InChI Key:
NTWAIIRQOGACPF-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CCC(=O)c1cccc(c1)Br
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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