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898761-90-5 | 3-(4-Bromophenyl)-2',5'-dichloropropiophenone
CAS No: 898761-90-5 Catalog No: AG01EYVM MDL No:
Product Description
Catalog Number:
AG01EYVM
Chemical Name:
3-(4-Bromophenyl)-2',5'-dichloropropiophenone
CAS Number:
898761-90-5
Molecular Formula:
C15H11BrCl2O
Molecular Weight:
358.0572
IUPAC Name:
3-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-1-one
InChI:
InChI=1S/C15H11BrCl2O/c16-11-4-1-10(2-5-11)3-8-15(19)13-9-12(17)6-7-14(13)18/h1-2,4-7,9H,3,8H2
InChI Key:
DMABYCKEMJLARC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1cc(Cl)ccc1Cl
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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