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113478-92-5 | 2,4-Pentanedione, 3-(2-bromo-2-propen-1-yl)-
CAS No: 113478-92-5 Catalog No: AG0008QI MDL No:
Product Description
Catalog Number:
AG0008QI
Chemical Name:
2,4-Pentanedione, 3-(2-bromo-2-propen-1-yl)-
CAS Number:
113478-92-5
Molecular Formula:
C8H11BrO2
Molecular Weight:
219.0757
IUPAC Name:
3-(2-bromoprop-2-enyl)pentane-2,4-dione
InChI:
InChI=1S/C8H11BrO2/c1-5(9)4-8(6(2)10)7(3)11/h8H,1,4H2,2-3H3
InChI Key:
XGERRORSQCWMOI-UHFFFAOYSA-N
SMILES:
BrC(=C)CC(C(=O)C)C(=O)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.994g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.078g/mol
Monoisotopic Mass:
217.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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