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132214-59-6 | 3,5-Pyrazolidinedione, 4,4-dibromo-1-phenyl-
CAS No: 132214-59-6 Catalog No: AG0010ED MDL No:
Product Description
Catalog Number:
AG0010ED
Chemical Name:
3,5-Pyrazolidinedione, 4,4-dibromo-1-phenyl-
CAS Number:
132214-59-6
Molecular Formula:
C9H6Br2N2O2
Molecular Weight:
333.9641
IUPAC Name:
4,4-dibromo-1-phenylpyrazolidine-3,5-dione
InChI:
InChI=1S/C9H6Br2N2O2/c10-9(11)7(14)12-13(8(9)15)6-4-2-1-3-5-6/h1-5H,(H,12,14)
InChI Key:
KSEGDINTQMTLAW-UHFFFAOYSA-N
SMILES:
O=C1N(NC(=O)C1(Br)Br)c1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.878g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.967g/mol
Monoisotopic Mass:
331.88g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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