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NSC154712,20895-05-0, 2-bromo-1-furan-2-yl-2-methylpropan-1-one,Canoni

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摘 要:NSC154712,20895-05-0, 2-bromo-1-furan-2-yl-2-methylpropan-1-one,Canonical SMILES: CC(C)(C(=O)C1=CC=CO1)Br,InChI: InChI=1/C8H9BrO2/c1-8(2,9)7(10)6-4-3-5-11-6/h3-5H,1-2H3,Molecular Weight217.05986 [g/mol]Molecular FormulaC8H9BrO2XLogP1.6H-Bond Donor0H-
[Synonyms]
NSC154712
20895-05-0

[Structure]
NSC154712,20895-05-0, 2-bromo-1-furan-2-yl-2-methylpropan-1-one,Canoni

[ Properties Computed from Structure]
Molecular Weight217.05986 [g/mol]
Molecular FormulaC8H9BrO2
XLogP1.6
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count2
Exact Mass215.978592
MonoIsotopic Mass215.978592
Topological Polar Surface Area30.2
Heavy Atom Count11
Formal Charge0
Complexity166
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-bromo-1-furan-2-yl-2-methylpropan-1-one
Canonical SMILES: CC(C)(C(=O)C1=CC=CO1)Br
InChI: InChI=1/C8H9BrO2/c1-8(2,9)7(10)6-4-3-5-11-6/h3-5H,1-2H3

 
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