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116485-50-8 | 2-Buten-1-one, 2,4-dibromo-1,3-diphenyl-
CAS No: 116485-50-8 Catalog No: AG000CM3 MDL No:
Product Description
Catalog Number:
AG000CM3
Chemical Name:
2-Buten-1-one, 2,4-dibromo-1,3-diphenyl-
CAS Number:
116485-50-8
Molecular Formula:
C16H12Br2O
Molecular Weight:
380.0739
IUPAC Name:
2,4-dibromo-1,3-diphenylbut-2-en-1-one
InChI:
InChI=1S/C16H12Br2O/c17-11-14(12-7-3-1-4-8-12)15(18)16(19)13-9-5-2-6-10-13/h1-10H,11H2
InChI Key:
ZMLBBAUNKFRQBT-UHFFFAOYSA-N
SMILES:
BrCC(=C(C(=O)c1ccccc1)Br)c1ccccc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.923g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.079g/mol
Monoisotopic Mass:
377.925g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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