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16619-55-9 | 1,3-Propanedione, 2,2-dibromo-1,3-diphenyl-
CAS No: 16619-55-9 Catalog No: AG001WK9 MDL No:MFCD00068642
Product Description
Catalog Number:
AG001WK9
Chemical Name:
1,3-Propanedione, 2,2-dibromo-1,3-diphenyl-
CAS Number:
16619-55-9
Molecular Formula:
C15H10Br2O2
Molecular Weight:
382.0467
MDL Number:
MFCD00068642
IUPAC Name:
2,2-dibromo-1,3-diphenylpropane-1,3-dione
InChI:
InChI=1S/C15H10Br2O2/c16-15(17,13(18)11-7-3-1-4-8-11)14(19)12-9-5-2-6-10-12/h1-10H
InChI Key:
GSWSUDFFJVJMLG-UHFFFAOYSA-N
SMILES:
O=C(C(C(=O)c1ccccc1)(Br)Br)c1ccccc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.903g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.051g/mol
Monoisotopic Mass:
379.905g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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