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141625-27-6 | 1,2-Propanedione, 3-(4-bromophenyl)-3-chloro-1-phenyl-
CAS No: 141625-27-6 Catalog No: AG001GOR MDL No:
Product Description
Catalog Number:
AG001GOR
Chemical Name:
1,2-Propanedione, 3-(4-bromophenyl)-3-chloro-1-phenyl-
CAS Number:
141625-27-6
Molecular Formula:
C15H10BrClO2
Molecular Weight:
337.5957
IUPAC Name:
3-(4-bromophenyl)-3-chloro-1-phenylpropane-1,2-dione
InChI:
InChI=1S/C15H10BrClO2/c16-12-8-6-10(7-9-12)13(17)15(19)14(18)11-4-2-1-3-5-11/h1-9,13H
InChI Key:
CUGOQUVFTNDKFH-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(C(=O)C(=O)c1ccccc1)Cl
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.955g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.597g/mol
Monoisotopic Mass:
335.955g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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