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18838-41-0 | 4-Cyclopentene-1,3-dione, 2,2,4,5-tetrabromo-
CAS No: 18838-41-0 Catalog No: AG002GV0 MDL No:
Product Description
Catalog Number:
AG002GV0
Chemical Name:
4-Cyclopentene-1,3-dione, 2,2,4,5-tetrabromo-
CAS Number:
18838-41-0
Molecular Formula:
C5Br4O2
Molecular Weight:
411.6683
IUPAC Name:
2,2,4,5-tetrabromocyclopent-4-ene-1,3-dione
InChI:
InChI=1S/C5Br4O2/c6-1-2(7)4(11)5(8,9)3(1)10
InChI Key:
JVROKIVKBQCTIW-UHFFFAOYSA-N
SMILES:
BrC1=C(Br)C(=O)C(C1=O)(Br)Br
NSC Number:
159436
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.659g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.669g/mol
Monoisotopic Mass:
407.663g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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