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143701-28-4 | 2,5-Cyclohexadiene-1,4-dione, 2,3,5-tribromo-6-(1-piperidinyl)-
CAS No: 143701-28-4 Catalog No: AG001I7Z MDL No:
Product Description
Catalog Number:
AG001I7Z
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,3,5-tribromo-6-(1-piperidinyl)-
CAS Number:
143701-28-4
Molecular Formula:
C11H10Br3NO2
Molecular Weight:
427.9146
IUPAC Name:
2,3,5-tribromo-6-piperidin-1-ylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C11H10Br3NO2/c12-6-7(13)11(17)9(8(14)10(6)16)15-4-2-1-3-5-15/h1-5H2
InChI Key:
CILFLPYEFIITRL-UHFFFAOYSA-N
SMILES:
BrC1=C(N2CCCCC2)C(=O)C(=C(C1=O)Br)Br
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.824g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.918g/mol
Monoisotopic Mass:
424.826g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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