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898761-86-9 | 3-(4-Bromophenyl)-2',3'-dichloropropiophenone
CAS No: 898761-86-9 Catalog No: AG01EYVK MDL No:
Product Description
Catalog Number:
AG01EYVK
Chemical Name:
3-(4-Bromophenyl)-2',3'-dichloropropiophenone
CAS Number:
898761-86-9
Molecular Formula:
C15H11BrCl2O
Molecular Weight:
358.0572
IUPAC Name:
3-(4-bromophenyl)-1-(2,3-dichlorophenyl)propan-1-one
InChI:
InChI=1S/C15H11BrCl2O/c16-11-7-4-10(5-8-11)6-9-14(19)12-2-1-3-13(17)15(12)18/h1-5,7-8H,6,9H2
InChI Key:
YTCPJZMDUOYFMA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1cccc(c1Cl)Cl
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.937g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.056g/mol
Monoisotopic Mass:
355.937g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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